1-cyclopropyl-3-[5-[6-[1-(4-fluorophenyl)sulfonylcyclopropyl]-2-(3-methylmorpholin-4-yl)pyrimidin-4-yl]-2-pyridinyl]urea;2-[6-(cyclopropylmethoxy)-3-pyridinyl]-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;1-[5-[4-(1-cyclopropylsulfonylcyclopropyl)-6-(2-methylpiperidin-1-yl)pyrimidin-2-yl]-2-pyridinyl]-3-(1-methylpyrazol-4-yl)urea;1-[5-[4-(3-methylmorpholin-4-yl)-6-[1-(4-methylphenyl)sulfonylcyclopropyl]pyrimidin-2-yl]-2-pyridinyl]-3-(1-methylpyrazol-4-yl)urea;phenyl N-[5-[4-(1-cyclopropylsulfonylcyclopropyl)-6-(3-methylmorpholin-4-yl)pyrimidin-2-yl]-2-pyridinyl]carbamate;phenyl N-[5-[4-[1-(4-fluorophenyl)sulfonylcyclopropyl]-6-(3-methylmorpholin-4-yl)pyrimidin-2-yl]-2-pyridinyl]carbamate

C162H175F2N39O23S5 — CID 159556879

IUPAC1-cyclopropyl-3-[5-[6-[1-(4-fluorophenyl)sulfonylcyclopropyl]-2-(3-methylmorpholin-4-yl)pyrimidin-4-yl]-2-pyridinyl]urea;2-[6-(cyclopropylmethoxy)-3-pyridinyl]-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;1-[5-[4-(1-cyclopropylsulfonylcyclopropyl)-6-(2-methylpiperidin-1-yl)pyrimidin-2-yl]-2-pyridinyl]-3-(1-methylpyrazol-4-yl)urea;1-[5-[4-(3-methylmorpholin-4-yl)-6-[1-(4-methylphenyl)sulfonylcyclopropyl]pyrimidin-2-yl]-2-pyridinyl]-3-(1-methylpyrazol-4-yl)urea;phenyl N-[5-[4-(1-cyclopropylsulfonylcyclopropyl)-6-(3-methylmorpholin-4-yl)pyrimidin-2-yl]-2-pyridinyl]carbamate;phenyl N-[5-[4-[1-(4-fluorophenyl)sulfonylcyclopropyl]-6-(3-methylmorpholin-4-yl)pyrimidin-2-yl]-2-pyridinyl]carbamate
SMILESCC1CCCCN1c1cc(C2(S(=O)(=O)C3CC3)CC2)nc(-c2ccc(NC(=O)Nc3cnn(C)c3)nc2)n1.CC1COCCN1c1cc(C2(S(=O)(=O)C3CC3)CC2)nc(-c2ccc(NC(=O)Oc3ccccc3)nc2)n1.CC1COCCN1c1cc(C2(S(=O)(=O)c3ccc(F)cc3)CC2)nc(-c2ccc(NC(=O)Oc3ccccc3)nc2)n1.CC1COCCN1c1nc(-c2ccc(NC(=O)NC3CC3)nc2)cc(C2(S(=O)(=O)c3ccc(F)cc3)CC2)n1.Cc1ccc(S(=O)(=O)C2(c3cc(N4CCOCC4C)nc(-c4ccc(NC(=O)Nc5cnn(C)c5)nc4)n3)CC2)cc1.O=C(Nc1cnccc1N1CCNCC1)c1ccnc(-c2ccc(OCC3CC3)nc2)n1
InChIInChI=1S/C30H28FN5O5S.C29H32N8O4S.C27H29FN6O4S.C27H29N5O5S.C26H32N8O3S.C23H25N7O2/c1-20-19-40-16-15-36(20)27-17-25(30(13-14-30)42(38,39)24-10-8-22(31)9-11-24)33-28(35-27)21-7-12-26(32-18-21)34-29(37)41-23-5-3-2-4-6-23;1-19-4-7-23(8-5-19)42(39,40)29(10-11-29)24-14-26(37-12-13-41-18-20(37)2)35-27(33-24)21-6-9-25(30-15-21)34-28(38)32-22-16-31-36(3)17-22;1-17-16-38-13-12-34(17)25-31-22(18-2-9-24(29-15-18)33-26(35)30-20-5-6-20)14-23(32-25)27(10-11-27)39(36,37)21-7-3-19(28)4-8-21;1-18-17-36-14-13-32(18)24-15-22(27(11-12-27)38(34,35)21-8-9-21)29-25(31-24)19-7-10-23(28-16-19)30-26(33)37-20-5-3-2-4-6-20;1-17-5-3-4-12-34(17)23-13-21(26(10-11-26)38(36,37)20-7-8-20)30-24(32-23)18-6-9-22(27-14-18)31-25(35)29-19-15-28-33(2)16-19;31-23(29-19-14-25-7-6-20(19)30-11-9-24-10-12-30)18-5-8-26-22(28-18)17-3-4-21(27-13-17)32-15-16-1-2-16/h2-12,17-18,20H,13-16,19H2,1H3,(H,32,34,37);4-9,14-17,20H,10-13,18H2,1-3H3,(H2,30,32,34,38);2-4,7-9,14-15,17,20H,5-6,10-13,16H2,1H3,(H2,29,30,33,35);2-7,10,15-16,18,21H,8-9,11-14,17H2,1H3,(H,28,30,33);6,9,13-17,20H,3-5,7-8,10-12H2,1-2H3,(H2,27,29,31,35);3-8,13-14,16,24H,1-2,9-12,15H2,(H,29,31)
InChIKeyMGCKHTCPOQFWBK-UHFFFAOYSA-N
MW3234.76 g/mol
LogP22.73
Rot. Bonds42

About 1-cyclopropyl-3-[5-[6-[1-(4-fluorophenyl)sulfonylcyclopropyl]-2-(3-methylmorpholin-4-yl)pyrimidin-4-yl]-2-pyridinyl]urea;2-[6-(cyclopropylmethoxy)-3-pyridinyl]-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;1-[5-[4-(1-cyclopropylsulfonylcyclopropyl)-6-(2-methylpiperidin-1-yl)pyrimidin-2-yl]-2-pyridinyl]-3-(1-methylpyrazol-4-yl)urea;1-[5-[4-(3-methylmorpholin-4-yl)-6-[1-(4-methylphenyl)sulfonylcyclopropyl]pyrimidin-2-yl]-2-pyridinyl]-3-(1-methylpyrazol-4-yl)urea;phenyl N-[5-[4-(1-cyclopropylsulfonylcyclopropyl)-6-(3-methylmorpholin-4-yl)pyrimidin-2-yl]-2-pyridinyl]carbamate;phenyl N-[5-[4-[1-(4-fluorophenyl)sulfonylcyclopropyl]-6-(3-methylmorpholin-4-yl)pyrimidin-2-yl]-2-pyridinyl]carbamate

1-cyclopropyl-3-[5-[6-[1-(4-fluorophenyl)sulfonylcyclopropyl]-2-(3-methylmorpholin-4-yl)pyrimidin-4-yl]-2-pyridinyl]urea;2-[6-(cyclopropylmethoxy)-3-pyridinyl]-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;1-[5-[4-(1-cyclopropylsulfonylcyclopropyl)-6-(2-methylpiperidin-1-yl)pyrimidin-2-yl]-2-pyridinyl]-3-(1-methylpyrazol-4-yl)urea;1-[5-[4-(3-methylmorpholin-4-yl)-6-[1-(4-methylphenyl)sulfonylcyclopropyl]pyrimidin-2-yl]-2-pyridinyl]-3-(1-methylpyrazol-4-yl)urea;phenyl N-[5-[4-(1-cyclopropylsulfonylcyclopropyl)-6-(3-methylmorpholin-4-yl)pyrimidin-2-yl]-2-pyridinyl]carbamate;phenyl N-[5-[4-[1-(4-fluorophenyl)sulfonylcyclopropyl]-6-(3-methylmorpholin-4-yl)pyrimidin-2-yl]-2-pyridinyl]carbamate (PubChem CID 159556879) has the molecular formula C162H175F2N39O23S5 and a molecular weight of 3234.76 g/mol. Its IUPAC name is 1-cyclopropyl-3-[5-[6-[1-(4-fluorophenyl)sulfonylcyclopropyl]-2-(3-methylmorpholin-4-yl)pyrimidin-4-yl]-2-pyridinyl]urea;2-[6-(cyclopropylmethoxy)-3-pyridinyl]-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;1-[5-[4-(1-cyclopropylsulfonylcyclopropyl)-6-(2-methylpiperidin-1-yl)pyrimidin-2-yl]-2-pyridinyl]-3-(1-methylpyrazol-4-yl)urea;1-[5-[4-(3-methylmorpholin-4-yl)-6-[1-(4-methylphenyl)sulfonylcyclopropyl]pyrimidin-2-yl]-2-pyridinyl]-3-(1-methylpyrazol-4-yl)urea;phenyl N-[5-[4-(1-cyclopropylsulfonylcyclopropyl)-6-(3-methylmorpholin-4-yl)pyrimidin-2-yl]-2-pyridinyl]carbamate;phenyl N-[5-[4-[1-(4-fluorophenyl)sulfonylcyclopropyl]-6-(3-methylmorpholin-4-yl)pyrimidin-2-yl]-2-pyridinyl]carbamate.

Molecular Properties

Compound Name1-cyclopropyl-3-[5-[6-[1-(4-fluorophenyl)sulfonylcyclopropyl]-2-(3-methylmorpholin-4-yl)pyrimidin-4-yl]-2-pyridinyl]urea;2-[6-(cyclopropylmethoxy)-3-pyridinyl]-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;1-[5-[4-(1-cyclopropylsulfonylcyclopropyl)-6-(2-methylpiperidin-1-yl)pyrimidin-2-yl]-2-pyridinyl]-3-(1-methylpyrazol-4-yl)urea;1-[5-[4-(3-methylmorpholin-4-yl)-6-[1-(4-methylphenyl)sulfonylcyclopropyl]pyrimidin-2-yl]-2-pyridinyl]-3-(1-methylpyrazol-4-yl)urea;phenyl N-[5-[4-(1-cyclopropylsulfonylcyclopropyl)-6-(3-methylmorpholin-4-yl)pyrimidin-2-yl]-2-pyridinyl]carbamate;phenyl N-[5-[4-[1-(4-fluorophenyl)sulfonylcyclopropyl]-6-(3-methylmorpholin-4-yl)pyrimidin-2-yl]-2-pyridinyl]carbamate
PubChem CID159556879
Molecular FormulaC162H175F2N39O23S5
Molecular Weight3234.76 g/mol
Exact Mass3232.23
IUPAC Name1-cyclopropyl-3-[5-[6-[1-(4-fluorophenyl)sulfonylcyclopropyl]-2-(3-methylmorpholin-4-yl)pyrimidin-4-yl]-2-pyridinyl]urea;2-[6-(cyclopropylmethoxy)-3-pyridinyl]-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;1-[5-[4-(1-cyclopropylsulfonylcyclopropyl)-6-(2-methylpiperidin-1-yl)pyrimidin-2-yl]-2-pyridinyl]-3-(1-methylpyrazol-4-yl)urea;1-[5-[4-(3-methylmorpholin-4-yl)-6-[1-(4-methylphenyl)sulfonylcyclopropyl]pyrimidin-2-yl]-2-pyridinyl]-3-(1-methylpyrazol-4-yl)urea;phenyl N-[5-[4-(1-cyclopropylsulfonylcyclopropyl)-6-(3-methylmorpholin-4-yl)pyrimidin-2-yl]-2-pyridinyl]carbamate;phenyl N-[5-[4-[1-(4-fluorophenyl)sulfonylcyclopropyl]-6-(3-methylmorpholin-4-yl)pyrimidin-2-yl]-2-pyridinyl]carbamate
SMILESCC1CCCCN1c1cc(C2(S(=O)(=O)C3CC3)CC2)nc(-c2ccc(NC(=O)Nc3cnn(C)c3)nc2)n1.CC1COCCN1c1cc(C2(S(=O)(=O)C3CC3)CC2)nc(-c2ccc(NC(=O)Oc3ccccc3)nc2)n1.CC1COCCN1c1cc(C2(S(=O)(=O)c3ccc(F)cc3)CC2)nc(-c2ccc(NC(=O)Oc3ccccc3)nc2)n1.CC1COCCN1c1nc(-c2ccc(NC(=O)NC3CC3)nc2)cc(C2(S(=O)(=O)c3ccc(F)cc3)CC2)n1.Cc1ccc(S(=O)(=O)C2(c3cc(N4CCOCC4C)nc(-c4ccc(NC(=O)Nc5cnn(C)c5)nc4)n3)CC2)cc1.O=C(Nc1cnccc1N1CCNCC1)c1ccnc(-c2ccc(OCC3CC3)nc2)n1
InChIInChI=1S/C30H28FN5O5S.C29H32N8O4S.C27H29FN6O4S.C27H29N5O5S.C26H32N8O3S.C23H25N7O2/c1-20-19-40-16-15-36(20)27-17-25(30(13-14-30)42(38,39)24-10-8-22(31)9-11-24)33-28(35-27)21-7-12-26(32-18-21)34-29(37)41-23-5-3-2-4-6-23;1-19-4-7-23(8-5-19)42(39,40)29(10-11-29)24-14-26(37-12-13-41-18-20(37)2)35-27(33-24)21-6-9-25(30-15-21)34-28(38)32-22-16-31-36(3)17-22;1-17-16-38-13-12-34(17)25-31-22(18-2-9-24(29-15-18)33-26(35)30-20-5-6-20)14-23(32-25)27(10-11-27)39(36,37)21-7-3-19(28)4-8-21;1-18-17-36-14-13-32(18)24-15-22(27(11-12-27)38(34,35)21-8-9-21)29-25(31-24)19-7-10-23(28-16-19)30-26(33)37-20-5-3-2-4-6-20;1-17-5-3-4-12-34(17)23-13-21(26(10-11-26)38(36,37)20-7-8-20)30-24(32-23)18-6-9-22(27-14-18)31-25(35)29-19-15-28-33(2)16-19;31-23(29-19-14-25-7-6-20(19)30-11-9-24-10-12-30)18-5-8-26-22(28-18)17-3-4-21(27-13-17)32-15-16-1-2-16/h2-12,17-18,20H,13-16,19H2,1H3,(H,32,34,37);4-9,14-17,20H,10-13,18H2,1-3H3,(H2,30,32,34,38);2-4,7-9,14-15,17,20H,5-6,10-13,16H2,1H3,(H2,29,30,33,35);2-7,10,15-16,18,21H,8-9,11-14,17H2,1H3,(H,28,30,33);6,9,13-17,20H,3-5,7-8,10-12H2,1-2H3,(H2,27,29,31,35);3-8,13-14,16,24H,1-2,9-12,15H2,(H,29,31)
InChIKeyMGCKHTCPOQFWBK-UHFFFAOYSA-N
XLogP22.73
TPSA758.02 Ų
H-Bond Donors10
H-Bond Acceptors53
Rotatable Bonds42
Heavy Atoms231
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003234.76
LogP ≤ 522.73
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1053

Analyze 1-cyclopropyl-3-[5-[6-[1-(4-fluorophenyl)sulfonylcyclopropyl]-2-(3-methylmorpholin-4-yl)pyrimidin-4-yl]-2-pyridinyl]urea;2-[6-(cyclopropylmethoxy)-3-pyridinyl]-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;1-[5-[4-(1-cyclopropylsulfonylcyclopropyl)-6-(2-methylpiperidin-1-yl)pyrimidin-2-yl]-2-pyridinyl]-3-(1-methylpyrazol-4-yl)urea;1-[5-[4-(3-methylmorpholin-4-yl)-6-[1-(4-methylphenyl)sulfonylcyclopropyl]pyrimidin-2-yl]-2-pyridinyl]-3-(1-methylpyrazol-4-yl)urea;phenyl N-[5-[4-(1-cyclopropylsulfonylcyclopropyl)-6-(3-methylmorpholin-4-yl)pyrimidin-2-yl]-2-pyridinyl]carbamate;phenyl N-[5-[4-[1-(4-fluorophenyl)sulfonylcyclopropyl]-6-(3-methylmorpholin-4-yl)pyrimidin-2-yl]-2-pyridinyl]carbamate with MolForge

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Launch Full Analysis

Related Compounds

phenyl N-[5-[4-[1-(4-fluorophenyl)sulfonylcyclopropyl]-6-(3-methylmorpholin-4-yl)pyrimidin-2-yl]-2-pyridinyl]carbamate
CID 76561499
1-cyclopropyl-3-[5-[4-(1-cyclopropylsulfonylcyclopropyl)-6-(3-methylmorpholin-4-yl)pyrimidin-2-yl]-2-pyridinyl]urea
CID 76561296
1-[4-[4-[1-(5-fluoro-2-methylphenyl)sulfonylcyclopropyl]-6-[(3S)-3-methylmorpholin-4-yl]pyrimidin-2-yl]phenyl]-3-(1-methylpyrazol-4-yl)urea
CID 68953416
1-[4-[4-[1-(4-fluoro-2-methylphenyl)sulfonylcyclopropyl]-6-[(3S)-3-methylmorpholin-4-yl]pyrimidin-2-yl]phenyl]-3-(1-methylpyrazol-4-yl)urea
CID 68842410
1-[5-[4-(1-cyclopropylsulfanylcyclopropyl)-6-(3-methylmorpholin-4-yl)pyrimidin-2-yl]-2-pyridinyl]-3-(1-methylpyrazol-4-yl)urea
CID 145134429
1-cyclopropyl-3-[4-[4-[1-(2-fluorophenyl)sulfonylcyclopropyl]-6-[(3S)-3-methylmorpholin-4-yl]pyrimidin-2-yl]phenyl]urea
CID 68956815
2-(6-methoxy-3-pyridinyl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide
CID 59569279
1-cyclopropyl-3-[5-[4-[(3S)-3-methylmorpholin-4-yl]-6-(2-methylsulfonylpropan-2-yl)pyrimidin-2-yl]-2-pyridinyl]urea
CID 57462611
1-[4-[4-[1-(benzenesulfonyl)cyclopropyl]-6-[(3S,5S)-3,5-dimethylmorpholin-4-yl]pyrimidin-2-yl]phenyl]-3-cyclopropylurea
CID 25167651
1-[4-[4-[(3S)-3-methylmorpholin-4-yl]-6-(1-pyridin-4-ylsulfonylcyclopropyl)pyrimidin-2-yl]phenyl]-3-propylurea
CID 68843193
CID 143741439
CID 143741439
1-[4-[4-(1-cyclopentylsulfonylcyclopropyl)-6-[(3S)-3-methylmorpholin-4-yl]pyrimidin-2-yl]phenyl]-3-propylurea
CID 68955563

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[5-[6-[1-(4-fluorophenyl)sulfonylcyclopropyl]-2-(3-methylmorpholin-4-yl)pyrimidin-4-yl]-2-pyridinyl]urea;2-[6-(cyclopropylmethoxy)-3-pyridinyl]-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;1-[5-[4-(1-cyclopropylsulfonylcyclopropyl)-6-(2-methylpiperidin-1-yl)pyrimidin-2-yl]-2-pyridinyl]-3-(1-methylpyrazol-4-yl)urea;1-[5-[4-(3-methylmorpholin-4-yl)-6-[1-(4-methylphenyl)sulfonylcyclopropyl]pyrimidin-2-yl]-2-pyridinyl]-3-(1-methylpyrazol-4-yl)urea;phenyl N-[5-[4-(1-cyclopropylsulfonylcyclopropyl)-6-(3-methylmorpholin-4-yl)pyrimidin-2-yl]-2-pyridinyl]carbamate;phenyl N-[5-[4-[1-(4-fluorophenyl)sulfonylcyclopropyl]-6-(3-methylmorpholin-4-yl)pyrimidin-2-yl]-2-pyridinyl]carbamate?
The IUPAC name of 1-cyclopropyl-3-[5-[6-[1-(4-fluorophenyl)sulfonylcyclopropyl]-2-(3-methylmorpholin-4-yl)pyrimidin-4-yl]-2-pyridinyl]urea;2-[6-(cyclopropylmethoxy)-3-pyridinyl]-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;1-[5-[4-(1-cyclopropylsulfonylcyclopropyl)-6-(2-methylpiperidin-1-yl)pyrimidin-2-yl]-2-pyridinyl]-3-(1-methylpyrazol-4-yl)urea;1-[5-[4-(3-methylmorpholin-4-yl)-6-[1-(4-methylphenyl)sulfonylcyclopropyl]pyrimidin-2-yl]-2-pyridinyl]-3-(1-methylpyrazol-4-yl)urea;phenyl N-[5-[4-(1-cyclopropylsulfonylcyclopropyl)-6-(3-methylmorpholin-4-yl)pyrimidin-2-yl]-2-pyridinyl]carbamate;phenyl N-[5-[4-[1-(4-fluorophenyl)sulfonylcyclopropyl]-6-(3-methylmorpholin-4-yl)pyrimidin-2-yl]-2-pyridinyl]carbamate (CID 159556879) is 1-cyclopropyl-3-[5-[6-[1-(4-fluorophenyl)sulfonylcyclopropyl]-2-(3-methylmorpholin-4-yl)pyrimidin-4-yl]-2-pyridinyl]urea;2-[6-(cyclopropylmethoxy)-3-pyridinyl]-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;1-[5-[4-(1-cyclopropylsulfonylcyclopropyl)-6-(2-methylpiperidin-1-yl)pyrimidin-2-yl]-2-pyridinyl]-3-(1-methylpyrazol-4-yl)urea;1-[5-[4-(3-methylmorpholin-4-yl)-6-[1-(4-methylphenyl)sulfonylcyclopropyl]pyrimidin-2-yl]-2-pyridinyl]-3-(1-methylpyrazol-4-yl)urea;phenyl N-[5-[4-(1-cyclopropylsulfonylcyclopropyl)-6-(3-methylmorpholin-4-yl)pyrimidin-2-yl]-2-pyridinyl]carbamate;phenyl N-[5-[4-[1-(4-fluorophenyl)sulfonylcyclopropyl]-6-(3-methylmorpholin-4-yl)pyrimidin-2-yl]-2-pyridinyl]carbamate.
What is the SMILES notation for 1-cyclopropyl-3-[5-[6-[1-(4-fluorophenyl)sulfonylcyclopropyl]-2-(3-methylmorpholin-4-yl)pyrimidin-4-yl]-2-pyridinyl]urea;2-[6-(cyclopropylmethoxy)-3-pyridinyl]-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;1-[5-[4-(1-cyclopropylsulfonylcyclopropyl)-6-(2-methylpiperidin-1-yl)pyrimidin-2-yl]-2-pyridinyl]-3-(1-methylpyrazol-4-yl)urea;1-[5-[4-(3-methylmorpholin-4-yl)-6-[1-(4-methylphenyl)sulfonylcyclopropyl]pyrimidin-2-yl]-2-pyridinyl]-3-(1-methylpyrazol-4-yl)urea;phenyl N-[5-[4-(1-cyclopropylsulfonylcyclopropyl)-6-(3-methylmorpholin-4-yl)pyrimidin-2-yl]-2-pyridinyl]carbamate;phenyl N-[5-[4-[1-(4-fluorophenyl)sulfonylcyclopropyl]-6-(3-methylmorpholin-4-yl)pyrimidin-2-yl]-2-pyridinyl]carbamate?
The canonical SMILES for 1-cyclopropyl-3-[5-[6-[1-(4-fluorophenyl)sulfonylcyclopropyl]-2-(3-methylmorpholin-4-yl)pyrimidin-4-yl]-2-pyridinyl]urea;2-[6-(cyclopropylmethoxy)-3-pyridinyl]-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;1-[5-[4-(1-cyclopropylsulfonylcyclopropyl)-6-(2-methylpiperidin-1-yl)pyrimidin-2-yl]-2-pyridinyl]-3-(1-methylpyrazol-4-yl)urea;1-[5-[4-(3-methylmorpholin-4-yl)-6-[1-(4-methylphenyl)sulfonylcyclopropyl]pyrimidin-2-yl]-2-pyridinyl]-3-(1-methylpyrazol-4-yl)urea;phenyl N-[5-[4-(1-cyclopropylsulfonylcyclopropyl)-6-(3-methylmorpholin-4-yl)pyrimidin-2-yl]-2-pyridinyl]carbamate;phenyl N-[5-[4-[1-(4-fluorophenyl)sulfonylcyclopropyl]-6-(3-methylmorpholin-4-yl)pyrimidin-2-yl]-2-pyridinyl]carbamate is CC1CCCCN1c1cc(C2(S(=O)(=O)C3CC3)CC2)nc(-c2ccc(NC(=O)Nc3cnn(C)c3)nc2)n1.CC1COCCN1c1cc(C2(S(=O)(=O)C3CC3)CC2)nc(-c2ccc(NC(=O)Oc3ccccc3)nc2)n1.CC1COCCN1c1cc(C2(S(=O)(=O)c3ccc(F)cc3)CC2)nc(-c2ccc(NC(=O)Oc3ccccc3)nc2)n1.CC1COCCN1c1nc(-c2ccc(NC(=O)NC3CC3)nc2)cc(C2(S(=O)(=O)c3ccc(F)cc3)CC2)n1.Cc1ccc(S(=O)(=O)C2(c3cc(N4CCOCC4C)nc(-c4ccc(NC(=O)Nc5cnn(C)c5)nc4)n3)CC2)cc1.O=C(Nc1cnccc1N1CCNCC1)c1ccnc(-c2ccc(OCC3CC3)nc2)n1.
What is the InChIKey of 1-cyclopropyl-3-[5-[6-[1-(4-fluorophenyl)sulfonylcyclopropyl]-2-(3-methylmorpholin-4-yl)pyrimidin-4-yl]-2-pyridinyl]urea;2-[6-(cyclopropylmethoxy)-3-pyridinyl]-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;1-[5-[4-(1-cyclopropylsulfonylcyclopropyl)-6-(2-methylpiperidin-1-yl)pyrimidin-2-yl]-2-pyridinyl]-3-(1-methylpyrazol-4-yl)urea;1-[5-[4-(3-methylmorpholin-4-yl)-6-[1-(4-methylphenyl)sulfonylcyclopropyl]pyrimidin-2-yl]-2-pyridinyl]-3-(1-methylpyrazol-4-yl)urea;phenyl N-[5-[4-(1-cyclopropylsulfonylcyclopropyl)-6-(3-methylmorpholin-4-yl)pyrimidin-2-yl]-2-pyridinyl]carbamate;phenyl N-[5-[4-[1-(4-fluorophenyl)sulfonylcyclopropyl]-6-(3-methylmorpholin-4-yl)pyrimidin-2-yl]-2-pyridinyl]carbamate?
The InChIKey is MGCKHTCPOQFWBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28FN5O5S.C29H32N8O4S.C27H29FN6O4S.C27H29N5O5S.C26H32N8O3S.C23H25N7O2/c1-20-19-40-16-15-36(20)27-17-25(30(13-14-30)42(38,39)24-10-8-22(31)9-11-24)33-28(35-27)21-7-12-26(32-18-21)34-29(37)41-23-5-3-2-4-6-23;1-19-4-7-23(8-5-19)42(39,40)29(10-11-29)24-14-26(37-12-13-41-18-20(37)2)35-27(33-24)21-6-9-25(30-15-21)34-28(38)32-22-16-31-36(3)17-22;1-17-16-38-13-12-34(17)25-31-22(18-2-9-24(29-15-18)33-26(35)30-20-5-6-20)14-23(32-25)27(10-11-27)39(36,37)21-7-3-19(28)4-8-21;1-18-17-36-14-13-32(18)24-15-22(27(11-12-27)38(34,35)21-8-9-21)29-25(31-24)19-7-10-23(28-16-19)30-26(33)37-20-5-3-2-4-6-20;1-17-5-3-4-12-34(17)23-13-21(26(10-11-26)38(36,37)20-7-8-20)30-24(32-23)18-6-9-22(27-14-18)31-25(35)29-19-15-28-33(2)16-19;31-23(29-19-14-25-7-6-20(19)30-11-9-24-10-12-30)18-5-8-26-22(28-18)17-3-4-21(27-13-17)32-15-16-1-2-16/h2-12,17-18,20H,13-16,19H2,1H3,(H,32,34,37);4-9,14-17,20H,10-13,18H2,1-3H3,(H2,30,32,34,38);2-4,7-9,14-15,17,20H,5-6,10-13,16H2,1H3,(H2,29,30,33,35);2-7,10,15-16,18,21H,8-9,11-14,17H2,1H3,(H,28,30,33);6,9,13-17,20H,3-5,7-8,10-12H2,1-2H3,(H2,27,29,31,35);3-8,13-14,16,24H,1-2,9-12,15H2,(H,29,31).
What are the key properties of 1-cyclopropyl-3-[5-[6-[1-(4-fluorophenyl)sulfonylcyclopropyl]-2-(3-methylmorpholin-4-yl)pyrimidin-4-yl]-2-pyridinyl]urea;2-[6-(cyclopropylmethoxy)-3-pyridinyl]-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;1-[5-[4-(1-cyclopropylsulfonylcyclopropyl)-6-(2-methylpiperidin-1-yl)pyrimidin-2-yl]-2-pyridinyl]-3-(1-methylpyrazol-4-yl)urea;1-[5-[4-(3-methylmorpholin-4-yl)-6-[1-(4-methylphenyl)sulfonylcyclopropyl]pyrimidin-2-yl]-2-pyridinyl]-3-(1-methylpyrazol-4-yl)urea;phenyl N-[5-[4-(1-cyclopropylsulfonylcyclopropyl)-6-(3-methylmorpholin-4-yl)pyrimidin-2-yl]-2-pyridinyl]carbamate;phenyl N-[5-[4-[1-(4-fluorophenyl)sulfonylcyclopropyl]-6-(3-methylmorpholin-4-yl)pyrimidin-2-yl]-2-pyridinyl]carbamate?
1-cyclopropyl-3-[5-[6-[1-(4-fluorophenyl)sulfonylcyclopropyl]-2-(3-methylmorpholin-4-yl)pyrimidin-4-yl]-2-pyridinyl]urea;2-[6-(cyclopropylmethoxy)-3-pyridinyl]-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;1-[5-[4-(1-cyclopropylsulfonylcyclopropyl)-6-(2-methylpiperidin-1-yl)pyrimidin-2-yl]-2-pyridinyl]-3-(1-methylpyrazol-4-yl)urea;1-[5-[4-(3-methylmorpholin-4-yl)-6-[1-(4-methylphenyl)sulfonylcyclopropyl]pyrimidin-2-yl]-2-pyridinyl]-3-(1-methylpyrazol-4-yl)urea;phenyl N-[5-[4-(1-cyclopropylsulfonylcyclopropyl)-6-(3-methylmorpholin-4-yl)pyrimidin-2-yl]-2-pyridinyl]carbamate;phenyl N-[5-[4-[1-(4-fluorophenyl)sulfonylcyclopropyl]-6-(3-methylmorpholin-4-yl)pyrimidin-2-yl]-2-pyridinyl]carbamate has a molecular weight of 3234.76 g/mol, XLogP of 22.73, 42 rotatable bonds, 10 hydrogen bond donors, and 53 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[5-[6-[1-(4-fluorophenyl)sulfonylcyclopropyl]-2-(3-methylmorpholin-4-yl)pyrimidin-4-yl]-2-pyridinyl]urea;2-[6-(cyclopropylmethoxy)-3-pyridinyl]-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;1-[5-[4-(1-cyclopropylsulfonylcyclopropyl)-6-(2-methylpiperidin-1-yl)pyrimidin-2-yl]-2-pyridinyl]-3-(1-methylpyrazol-4-yl)urea;1-[5-[4-(3-methylmorpholin-4-yl)-6-[1-(4-methylphenyl)sulfonylcyclopropyl]pyrimidin-2-yl]-2-pyridinyl]-3-(1-methylpyrazol-4-yl)urea;phenyl N-[5-[4-(1-cyclopropylsulfonylcyclopropyl)-6-(3-methylmorpholin-4-yl)pyrimidin-2-yl]-2-pyridinyl]carbamate;phenyl N-[5-[4-[1-(4-fluorophenyl)sulfonylcyclopropyl]-6-(3-methylmorpholin-4-yl)pyrimidin-2-yl]-2-pyridinyl]carbamate is sourced from PubChem (CID 159556879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).