tert-butyl N-[5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophen-2-yl]carbamate;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]thiophene-2-sulfonamide;5-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-4-yl]thiophene-2-sulfonamide;4-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]benzenesulfonamide;molecular hydrogen

C69H93ClN26O8S6 — CID 158182982

IUPACtert-butyl N-[5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophen-2-yl]carbamate;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]thiophene-2-sulfonamide;5-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-4-yl]thiophene-2-sulfonamide;4-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]benzenesulfonamide;molecular hydrogen
SMILESCC(C)(C)OC(=O)Nc1ccc(-c2ncc(Cl)c(Nc3cc(C4CC4)[nH]n3)n2)s1.CN1CCN(c2cc(Nc3cc(C4CC4)[nH]n3)nc(-c3ccc(S(N)(=O)=O)s3)n2)CC1.Cc1cc(-c2ccc(S(N)(=O)=O)s2)nc(Nc2cc(C3CC3)[nH]n2)n1.NS(=O)(=O)c1ccc(-c2nccc(Nc3cc(C4CC4)[nH]n3)n2)cc1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C19H21ClN6O2S.C19H24N8O2S2.C16H16N6O2S.C15H16N6O2S2.8H2/c1-19(2,3)28-18(27)23-15-7-6-13(29-15)17-21-9-11(20)16(24-17)22-14-8-12(25-26-14)10-4-5-10;1-26-6-8-27(9-7-26)17-11-15(21-16-10-13(24-25-16)12-2-3-12)22-19(23-17)14-4-5-18(30-14)31(20,28)29;17-25(23,24)12-5-3-11(4-6-12)16-18-8-7-14(20-16)19-15-9-13(21-22-15)10-1-2-10;1-8-6-11(12-4-5-14(24-12)25(16,22)23)18-15(17-8)19-13-7-10(20-21-13)9-2-3-9;;;;;;;;/h6-10H,4-5H2,1-3H3,(H,23,27)(H2,21,22,24,25,26);4-5,10-12H,2-3,6-9H2,1H3,(H2,20,28,29)(H2,21,22,23,24,25);3-10H,1-2H2,(H2,17,23,24)(H2,18,19,20,21,22);4-7,9H,2-3H2,1H3,(H2,16,22,23)(H2,17,18,19,20,21);8*1H
InChIKeyFYUZRJXYPPXDDP-UHFFFAOYSA-N
MW1642.53 g/mol
LogP14.11
Rot. Bonds21

About tert-butyl N-[5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophen-2-yl]carbamate;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]thiophene-2-sulfonamide;5-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-4-yl]thiophene-2-sulfonamide;4-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]benzenesulfonamide;molecular hydrogen

tert-butyl N-[5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophen-2-yl]carbamate;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]thiophene-2-sulfonamide;5-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-4-yl]thiophene-2-sulfonamide;4-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]benzenesulfonamide;molecular hydrogen (PubChem CID 158182982) has the molecular formula C69H93ClN26O8S6 and a molecular weight of 1642.53 g/mol. Its IUPAC name is tert-butyl N-[5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophen-2-yl]carbamate;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]thiophene-2-sulfonamide;5-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-4-yl]thiophene-2-sulfonamide;4-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]benzenesulfonamide;molecular hydrogen.

Molecular Properties

Compound Nametert-butyl N-[5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophen-2-yl]carbamate;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]thiophene-2-sulfonamide;5-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-4-yl]thiophene-2-sulfonamide;4-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]benzenesulfonamide;molecular hydrogen
PubChem CID158182982
Molecular FormulaC69H93ClN26O8S6
Molecular Weight1642.53 g/mol
Exact Mass1640.57
IUPAC Nametert-butyl N-[5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophen-2-yl]carbamate;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]thiophene-2-sulfonamide;5-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-4-yl]thiophene-2-sulfonamide;4-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]benzenesulfonamide;molecular hydrogen
SMILESCC(C)(C)OC(=O)Nc1ccc(-c2ncc(Cl)c(Nc3cc(C4CC4)[nH]n3)n2)s1.CN1CCN(c2cc(Nc3cc(C4CC4)[nH]n3)nc(-c3ccc(S(N)(=O)=O)s3)n2)CC1.Cc1cc(-c2ccc(S(N)(=O)=O)s2)nc(Nc2cc(C3CC3)[nH]n2)n1.NS(=O)(=O)c1ccc(-c2nccc(Nc3cc(C4CC4)[nH]n3)n2)cc1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C19H21ClN6O2S.C19H24N8O2S2.C16H16N6O2S.C15H16N6O2S2.8H2/c1-19(2,3)28-18(27)23-15-7-6-13(29-15)17-21-9-11(20)16(24-17)22-14-8-12(25-26-14)10-4-5-10;1-26-6-8-27(9-7-26)17-11-15(21-16-10-13(24-25-16)12-2-3-12)22-19(23-17)14-4-5-18(30-14)31(20,28)29;17-25(23,24)12-5-3-11(4-6-12)16-18-8-7-14(20-16)19-15-9-13(21-22-15)10-1-2-10;1-8-6-11(12-4-5-14(24-12)25(16,22)23)18-15(17-8)19-13-7-10(20-21-13)9-2-3-9;;;;;;;;/h6-10H,4-5H2,1-3H3,(H,23,27)(H2,21,22,24,25,26);4-5,10-12H,2-3,6-9H2,1H3,(H2,20,28,29)(H2,21,22,23,24,25);3-10H,1-2H2,(H2,17,23,24)(H2,18,19,20,21,22);4-7,9H,2-3H2,1H3,(H2,16,22,23)(H2,17,18,19,20,21);8*1H
InChIKeyFYUZRJXYPPXDDP-UHFFFAOYSA-N
XLogP14.11
TPSA491.25 Ų
H-Bond Donors12
H-Bond Acceptors29
Rotatable Bonds21
Heavy Atoms110
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001642.53
LogP ≤ 514.11
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1029

Analyze tert-butyl N-[5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophen-2-yl]carbamate;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]thiophene-2-sulfonamide;5-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-4-yl]thiophene-2-sulfonamide;4-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]benzenesulfonamide;molecular hydrogen with MolForge

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Related Compounds

5-[4-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-5-chloropyrimidin-2-yl]thiophene-2-sulfonamide;5-[5-chloro-4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-sulfonamide;2-[5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophen-2-yl]-2-methylpropanenitrile;2-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophen-2-yl]-2-methylpropanenitrile;molecular hydrogen
CID 157164958
5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-sulfonamide;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-fluoropyrimidin-2-yl]-N-methylthiophene-2-sulfonamide;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-ethyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-ethyl-2-(4-piperidin-1-ylpiperidin-1-yl)pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-ethyl-2-piperidin-1-ylpyrimidin-4-amine;molecular hydrogen
CID 157254731
2-N-(3-aminophenyl)-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;N-[3-[3-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]phenyl]sulfonylpropyl]acetamide;5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[3-[3-(dimethylamino)propylsulfonyl]phenyl]pyrimidin-4-amine;5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)pyrimidin-4-amine;3-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-hydroxypyrimidin-2-yl]benzenesulfonamide;molecular hydrogen
CID 157353255
N-(2-aminoethyl)-3-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]benzenesulfonamide;N-[[5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophen-2-yl]methyl]acetamide;5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(5-piperazin-1-ylsulfonylthiophen-2-yl)pyrimidin-4-amine;1-[5-[4-[(5-cyclopropyl-1H-pyrrol-3-yl)amino]-5-fluoropyrimidin-2-yl]thiophen-2-yl]ethanone;molecular hydrogen
CID 157698524
N-tert-butyl-5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophene-2-sulfonamide;4-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-methylbenzenesulfonamide;1-[5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophen-2-yl]ethanone;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophene-2-sulfonamide;molecular hydrogen
CID 157747492
benzyl 3-[3-[[5-chloro-2-(5-sulfamoylthiophen-2-yl)pyrimidin-4-yl]amino]-1H-pyrazol-5-yl]pyrrolidine-1-carboxylate;tert-butyl N-[[5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophen-2-yl]methyl]carbamate;5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(5-methylsulfinylthiophen-2-yl)pyrimidin-4-amine;5-[5-chloro-4-[(5-pyrrolidin-3-yl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-sulfonamide;molecular hydrogen
CID 158038966
N-[[5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophen-2-yl]methyl]methanesulfonamide;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-(dimethylamino)pyrimidin-2-yl]thiophene-2-sulfonamide;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-[(E)-3-hydroxyprop-1-enyl]pyrimidin-2-yl]thiophene-2-sulfonamide;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-(methylamino)pyrimidin-2-yl]thiophene-2-sulfonamide;molecular hydrogen
CID 158412056
5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-methylthiophene-2-sulfonamide;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-ethyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-ethyl-2-(4-piperidin-1-ylpiperidin-1-yl)pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-ethyl-2-piperidin-1-ylpyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine;molecular hydrogen
CID 158590385
N-(2-aminoethyl)-5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-sulfonamide;tert-butyl N-[2-[[5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophen-2-yl]sulfonylamino]ethyl]carbamate
CID 158652051
N-[3-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]phenyl]methanesulfonamide;N-[4-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]phenyl]methanesulfonamide;5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)pyrimidin-4-amine;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]-N-(2-hydroxyethyl)thiophene-2-sulfonamide;molecular hydrogen
CID 158729201
5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-methyl-5-propan-2-yl-1,3-thiazol-2-yl)pyrimidin-4-amine;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-(3-hydroxyprop-1-ynyl)pyrimidin-2-yl]thiophene-2-sulfonamide;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-[(E)-prop-1-enyl]pyrimidin-2-yl]thiophene-2-sulfonamide
CID 159021135
2-[5-(aminomethyl)thiophen-2-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-ethynylpyrimidin-4-amine;N-[2-[[5-[5-bromo-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophen-2-yl]sulfonylamino]ethyl]acetamide;tert-butyl N-[(3S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]pyrrolidin-3-yl]carbamate;tert-butyl N-[[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophen-2-yl]methyl]carbamate;molecular hydrogen
CID 159072067

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophen-2-yl]carbamate;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]thiophene-2-sulfonamide;5-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-4-yl]thiophene-2-sulfonamide;4-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]benzenesulfonamide;molecular hydrogen?
The IUPAC name of tert-butyl N-[5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophen-2-yl]carbamate;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]thiophene-2-sulfonamide;5-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-4-yl]thiophene-2-sulfonamide;4-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]benzenesulfonamide;molecular hydrogen (CID 158182982) is tert-butyl N-[5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophen-2-yl]carbamate;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]thiophene-2-sulfonamide;5-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-4-yl]thiophene-2-sulfonamide;4-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]benzenesulfonamide;molecular hydrogen.
What is the SMILES notation for tert-butyl N-[5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophen-2-yl]carbamate;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]thiophene-2-sulfonamide;5-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-4-yl]thiophene-2-sulfonamide;4-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]benzenesulfonamide;molecular hydrogen?
The canonical SMILES for tert-butyl N-[5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophen-2-yl]carbamate;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]thiophene-2-sulfonamide;5-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-4-yl]thiophene-2-sulfonamide;4-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]benzenesulfonamide;molecular hydrogen is CC(C)(C)OC(=O)Nc1ccc(-c2ncc(Cl)c(Nc3cc(C4CC4)[nH]n3)n2)s1.CN1CCN(c2cc(Nc3cc(C4CC4)[nH]n3)nc(-c3ccc(S(N)(=O)=O)s3)n2)CC1.Cc1cc(-c2ccc(S(N)(=O)=O)s2)nc(Nc2cc(C3CC3)[nH]n2)n1.NS(=O)(=O)c1ccc(-c2nccc(Nc3cc(C4CC4)[nH]n3)n2)cc1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].
What is the InChIKey of tert-butyl N-[5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophen-2-yl]carbamate;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]thiophene-2-sulfonamide;5-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-4-yl]thiophene-2-sulfonamide;4-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]benzenesulfonamide;molecular hydrogen?
The InChIKey is FYUZRJXYPPXDDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN6O2S.C19H24N8O2S2.C16H16N6O2S.C15H16N6O2S2.8H2/c1-19(2,3)28-18(27)23-15-7-6-13(29-15)17-21-9-11(20)16(24-17)22-14-8-12(25-26-14)10-4-5-10;1-26-6-8-27(9-7-26)17-11-15(21-16-10-13(24-25-16)12-2-3-12)22-19(23-17)14-4-5-18(30-14)31(20,28)29;17-25(23,24)12-5-3-11(4-6-12)16-18-8-7-14(20-16)19-15-9-13(21-22-15)10-1-2-10;1-8-6-11(12-4-5-14(24-12)25(16,22)23)18-15(17-8)19-13-7-10(20-21-13)9-2-3-9;;;;;;;;/h6-10H,4-5H2,1-3H3,(H,23,27)(H2,21,22,24,25,26);4-5,10-12H,2-3,6-9H2,1H3,(H2,20,28,29)(H2,21,22,23,24,25);3-10H,1-2H2,(H2,17,23,24)(H2,18,19,20,21,22);4-7,9H,2-3H2,1H3,(H2,16,22,23)(H2,17,18,19,20,21);8*1H.
What are the key properties of tert-butyl N-[5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophen-2-yl]carbamate;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]thiophene-2-sulfonamide;5-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-4-yl]thiophene-2-sulfonamide;4-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]benzenesulfonamide;molecular hydrogen?
tert-butyl N-[5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophen-2-yl]carbamate;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]thiophene-2-sulfonamide;5-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-4-yl]thiophene-2-sulfonamide;4-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]benzenesulfonamide;molecular hydrogen has a molecular weight of 1642.53 g/mol, XLogP of 14.11, 21 rotatable bonds, 12 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophen-2-yl]carbamate;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]thiophene-2-sulfonamide;5-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-4-yl]thiophene-2-sulfonamide;4-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]benzenesulfonamide;molecular hydrogen is sourced from PubChem (CID 158182982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).