1-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-3-[(6-methoxy-3-pyridinyl)methyl]urea;3-tert-butyl-5-(7-chloro-1H-indazol-5-yl)-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-ethyl-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-methyl-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-propylpyrazin-2-amine

C105H90Cl5N27O2 — CID 160849654

IUPAC1-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-3-[(6-methoxy-3-pyridinyl)methyl]urea;3-tert-butyl-5-(7-chloro-1H-indazol-5-yl)-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-ethyl-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-methyl-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-propylpyrazin-2-amine
SMILESCC(C)(C)c1nc(-c2cc(Cl)c3[nH]ncc3c2)c(-c2ccccc2)nc1N.CCCc1nc(-c2cc(Cl)c3[nH]ncc3c2)c(-c2ccccc2)nc1N.CCc1nc(-c2cc(Cl)c3[nH]ncc3c2)c(-c2ccccc2)nc1N.COc1ccc(CNC(=O)Nc2nc(-c3cc(Cl)c4ncccc4c3)c(-c3ccccc3)nc2N)cn1.Cc1nc(-c2cc(Cl)c3[nH]ncc3c2)c(-c2ccccc2)nc1N
InChIInChI=1S/C27H22ClN7O2.C21H20ClN5.C20H18ClN5.C19H16ClN5.C18H14ClN5/c1-37-21-10-9-16(14-31-21)15-32-27(36)35-26-25(29)33-23(17-6-3-2-4-7-17)24(34-26)19-12-18-8-5-11-30-22(18)20(28)13-19;1-21(2,3)19-20(23)26-17(12-7-5-4-6-8-12)18(25-19)13-9-14-11-24-27-16(14)15(22)10-13;1-2-6-16-20(22)25-18(12-7-4-3-5-8-12)19(24-16)13-9-14-11-23-26-17(14)15(21)10-13;1-2-15-19(21)24-17(11-6-4-3-5-7-11)18(23-15)12-8-13-10-22-25-16(13)14(20)9-12;1-10-18(20)23-16(11-5-3-2-4-6-11)17(22-10)12-7-13-9-21-24-15(13)14(19)8-12/h2-14H,15H2,1H3,(H2,29,33)(H2,32,34,35,36);4-11H,1-3H3,(H2,23,26)(H,24,27);3-5,7-11H,2,6H2,1H3,(H2,22,25)(H,23,26);3-10H,2H2,1H3,(H2,21,24)(H,22,25);2-9H,1H3,(H2,20,23)(H,21,24)
InChIKeySJCBXNWDEUJFJT-UHFFFAOYSA-N
MW1939.33 g/mol
LogP24.13
Rot. Bonds17

About 1-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-3-[(6-methoxy-3-pyridinyl)methyl]urea;3-tert-butyl-5-(7-chloro-1H-indazol-5-yl)-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-ethyl-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-methyl-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-propylpyrazin-2-amine

1-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-3-[(6-methoxy-3-pyridinyl)methyl]urea;3-tert-butyl-5-(7-chloro-1H-indazol-5-yl)-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-ethyl-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-methyl-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-propylpyrazin-2-amine (PubChem CID 160849654) has the molecular formula C105H90Cl5N27O2 and a molecular weight of 1939.33 g/mol. Its IUPAC name is 1-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-3-[(6-methoxy-3-pyridinyl)methyl]urea;3-tert-butyl-5-(7-chloro-1H-indazol-5-yl)-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-ethyl-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-methyl-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-propylpyrazin-2-amine.

Molecular Properties

Compound Name1-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-3-[(6-methoxy-3-pyridinyl)methyl]urea;3-tert-butyl-5-(7-chloro-1H-indazol-5-yl)-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-ethyl-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-methyl-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-propylpyrazin-2-amine
PubChem CID160849654
Molecular FormulaC105H90Cl5N27O2
Molecular Weight1939.33 g/mol
Exact Mass1935.62
IUPAC Name1-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-3-[(6-methoxy-3-pyridinyl)methyl]urea;3-tert-butyl-5-(7-chloro-1H-indazol-5-yl)-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-ethyl-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-methyl-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-propylpyrazin-2-amine
SMILESCC(C)(C)c1nc(-c2cc(Cl)c3[nH]ncc3c2)c(-c2ccccc2)nc1N.CCCc1nc(-c2cc(Cl)c3[nH]ncc3c2)c(-c2ccccc2)nc1N.CCc1nc(-c2cc(Cl)c3[nH]ncc3c2)c(-c2ccccc2)nc1N.COc1ccc(CNC(=O)Nc2nc(-c3cc(Cl)c4ncccc4c3)c(-c3ccccc3)nc2N)cn1.Cc1nc(-c2cc(Cl)c3[nH]ncc3c2)c(-c2ccccc2)nc1N
InChIInChI=1S/C27H22ClN7O2.C21H20ClN5.C20H18ClN5.C19H16ClN5.C18H14ClN5/c1-37-21-10-9-16(14-31-21)15-32-27(36)35-26-25(29)33-23(17-6-3-2-4-7-17)24(34-26)19-12-18-8-5-11-30-22(18)20(28)13-19;1-21(2,3)19-20(23)26-17(12-7-5-4-6-8-12)18(25-19)13-9-14-11-24-27-16(14)15(22)10-13;1-2-6-16-20(22)25-18(12-7-4-3-5-8-12)19(24-16)13-9-14-11-23-26-17(14)15(21)10-13;1-2-15-19(21)24-17(11-6-4-3-5-7-11)18(23-15)12-8-13-10-22-25-16(13)14(20)9-12;1-10-18(20)23-16(11-5-3-2-4-6-11)17(22-10)12-7-13-9-21-24-15(13)14(19)8-12/h2-14H,15H2,1H3,(H2,29,33)(H2,32,34,35,36);4-11H,1-3H3,(H2,23,26)(H,24,27);3-5,7-11H,2,6H2,1H3,(H2,22,25)(H,23,26);3-10H,2H2,1H3,(H2,21,24)(H,22,25);2-9H,1H3,(H2,20,23)(H,21,24)
InChIKeySJCBXNWDEUJFJT-UHFFFAOYSA-N
XLogP24.13
TPSA449.86 Ų
H-Bond Donors11
H-Bond Acceptors23
Rotatable Bonds17
Heavy Atoms139
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001939.33
LogP ≤ 524.13
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1023

Analyze 1-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-3-[(6-methoxy-3-pyridinyl)methyl]urea;3-tert-butyl-5-(7-chloro-1H-indazol-5-yl)-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-ethyl-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-methyl-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-propylpyrazin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl 5-methyl-2-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]indole-1-carboxylate;4-[4-(5-chloro-2-methoxy-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
CID 135313126
1-[3-Amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-[(6-methoxy-3-pyridinyl)methyl]urea
CID 137431127
1-[3-Amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-[(4-methoxyphenyl)methyl]urea
CID 137431129
1-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-3-[(6-methoxy-3-pyridinyl)methyl]urea
CID 137431467
1-[2-(7-chloro-1H-indazol-5-yl)-6-oxo-3-phenyl-5H-pyrido[2,3-b]pyrazin-7-yl]-3-(6-methoxy-3-pyridinyl)urea
CID 154656717
1-[3-Amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-[(4-methoxyphenyl)methyl]urea;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-[(1-methylazetidin-3-yl)methyl]urea;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-4-yl)pyrazin-2-yl]-3-(1-methyl-5-oxopyrrolidin-3-yl)urea;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-(oxan-4-ylmethyl)urea
CID 157173723
8-chloro-2-[(4-methoxyphenyl)methyl]-4-(4-methylpiperazin-1-yl)pyrazolo[3,4-c]quinoline;8-chloro-4-(4-methylpiperazin-1-yl)-3H-pyrazolo[5,4-c]quinoline;methane
CID 157222752
4-[3-(4-chloro-1H-benzimidazol-2-yl)-1H-indazol-5-yl]isoquinoline;4-[3-(4-chloro-1H-benzimidazol-2-yl)-1-[(4-methoxyphenyl)methyl]indazol-5-yl]isoquinoline
CID 157494878
8-chloro-2-[(4-methoxyphenyl)methyl]-4-(4-methylpiperazin-1-yl)pyrazolo[3,4-c]quinoline;8-chloro-4-(4-methylpiperazin-1-yl)-3H-pyrazolo[5,4-c]quinoline
CID 158529668
1-[3-Amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-[(6-methoxy-3-pyridinyl)methyl]urea;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-[(1-methylpyrrol-3-yl)methyl]urea;3-tert-butyl-5-(8-chloroquinolin-6-yl)-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-ethyl-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-methyl-6-phenylpyrazin-2-amine
CID 159254230
N-[(2-chlorophenyl)methyl]-9-[(4-methoxyphenyl)methyl]-2,3,5,7,9-pentazatricyclo[6.3.1.04,12]dodeca-1(12),3,5,7-tetraen-6-amine;9-[(4-methoxyphenyl)methyl]-N-[2-(5-methyl-1H-indol-3-yl)ethyl]-2,3,5,7,9-pentazatricyclo[6.3.1.04,12]dodeca-1(12),3,5,7-tetraen-6-amine;9-[(4-methoxyphenyl)methyl]-6-(4-phenylpiperazin-1-yl)-2,3,5,7,9-pentazatricyclo[6.3.1.04,12]dodeca-1(12),3,5,7-tetraene;9-[(4-methoxyphenyl)methyl]-N-(2-piperidin-1-ylethyl)-2,3,5,7,9-pentazatricyclo[6.3.1.04,12]dodeca-1(12),3,5,7-tetraen-6-amine
CID 159287541
1-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-3-[(4-methoxyphenyl)methyl]urea;1-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-3-[(1-methylazetidin-3-yl)methyl]urea;1-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-3-[(1-methylpyrrolidin-3-yl)methyl]urea;1-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-3-(oxan-4-ylmethyl)urea
CID 159749323

Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-3-[(6-methoxy-3-pyridinyl)methyl]urea;3-tert-butyl-5-(7-chloro-1H-indazol-5-yl)-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-ethyl-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-methyl-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-propylpyrazin-2-amine?
The IUPAC name of 1-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-3-[(6-methoxy-3-pyridinyl)methyl]urea;3-tert-butyl-5-(7-chloro-1H-indazol-5-yl)-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-ethyl-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-methyl-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-propylpyrazin-2-amine (CID 160849654) is 1-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-3-[(6-methoxy-3-pyridinyl)methyl]urea;3-tert-butyl-5-(7-chloro-1H-indazol-5-yl)-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-ethyl-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-methyl-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-propylpyrazin-2-amine.
What is the SMILES notation for 1-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-3-[(6-methoxy-3-pyridinyl)methyl]urea;3-tert-butyl-5-(7-chloro-1H-indazol-5-yl)-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-ethyl-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-methyl-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-propylpyrazin-2-amine?
The canonical SMILES for 1-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-3-[(6-methoxy-3-pyridinyl)methyl]urea;3-tert-butyl-5-(7-chloro-1H-indazol-5-yl)-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-ethyl-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-methyl-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-propylpyrazin-2-amine is CC(C)(C)c1nc(-c2cc(Cl)c3[nH]ncc3c2)c(-c2ccccc2)nc1N.CCCc1nc(-c2cc(Cl)c3[nH]ncc3c2)c(-c2ccccc2)nc1N.CCc1nc(-c2cc(Cl)c3[nH]ncc3c2)c(-c2ccccc2)nc1N.COc1ccc(CNC(=O)Nc2nc(-c3cc(Cl)c4ncccc4c3)c(-c3ccccc3)nc2N)cn1.Cc1nc(-c2cc(Cl)c3[nH]ncc3c2)c(-c2ccccc2)nc1N.
What is the InChIKey of 1-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-3-[(6-methoxy-3-pyridinyl)methyl]urea;3-tert-butyl-5-(7-chloro-1H-indazol-5-yl)-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-ethyl-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-methyl-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-propylpyrazin-2-amine?
The InChIKey is SJCBXNWDEUJFJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22ClN7O2.C21H20ClN5.C20H18ClN5.C19H16ClN5.C18H14ClN5/c1-37-21-10-9-16(14-31-21)15-32-27(36)35-26-25(29)33-23(17-6-3-2-4-7-17)24(34-26)19-12-18-8-5-11-30-22(18)20(28)13-19;1-21(2,3)19-20(23)26-17(12-7-5-4-6-8-12)18(25-19)13-9-14-11-24-27-16(14)15(22)10-13;1-2-6-16-20(22)25-18(12-7-4-3-5-8-12)19(24-16)13-9-14-11-23-26-17(14)15(21)10-13;1-2-15-19(21)24-17(11-6-4-3-5-7-11)18(23-15)12-8-13-10-22-25-16(13)14(20)9-12;1-10-18(20)23-16(11-5-3-2-4-6-11)17(22-10)12-7-13-9-21-24-15(13)14(19)8-12/h2-14H,15H2,1H3,(H2,29,33)(H2,32,34,35,36);4-11H,1-3H3,(H2,23,26)(H,24,27);3-5,7-11H,2,6H2,1H3,(H2,22,25)(H,23,26);3-10H,2H2,1H3,(H2,21,24)(H,22,25);2-9H,1H3,(H2,20,23)(H,21,24).
What are the key properties of 1-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-3-[(6-methoxy-3-pyridinyl)methyl]urea;3-tert-butyl-5-(7-chloro-1H-indazol-5-yl)-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-ethyl-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-methyl-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-propylpyrazin-2-amine?
1-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-3-[(6-methoxy-3-pyridinyl)methyl]urea;3-tert-butyl-5-(7-chloro-1H-indazol-5-yl)-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-ethyl-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-methyl-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-propylpyrazin-2-amine has a molecular weight of 1939.33 g/mol, XLogP of 24.13, 17 rotatable bonds, 11 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-3-[(6-methoxy-3-pyridinyl)methyl]urea;3-tert-butyl-5-(7-chloro-1H-indazol-5-yl)-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-ethyl-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-methyl-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-propylpyrazin-2-amine is sourced from PubChem (CID 160849654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).