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

C86H131N33O2S2 — CID 158590385

IUPAC5-[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
SMILESCCc1cnc(N2CCC(N3CCCCC3)CC2)nc1Nc1cc(C2CC2)[nH]n1.CCc1cnc(N2CCCCC2)nc1Nc1cc(C2CC2)[nH]n1.CCc1cnc(N2CCN(C)CC2)nc1Nc1cc(C2CC2)[nH]n1.CN1CCN(c2nccc(Nc3cc(C4CC4)[nH]n3)n2)CC1.CNS(=O)(=O)c1ccc(-c2nccc(Nc3cc(C4CC4)[nH]n3)n2)s1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C22H33N7.C17H25N7.C17H24N6.C15H21N7.C15H16N6O2S2.6H2/c1-2-16-15-23-22(25-21(16)24-20-14-19(26-27-20)17-6-7-17)29-12-8-18(9-13-29)28-10-4-3-5-11-28;1-3-12-11-18-17(24-8-6-23(2)7-9-24)20-16(12)19-15-10-14(21-22-15)13-4-5-13;1-2-12-11-18-17(23-8-4-3-5-9-23)20-16(12)19-15-10-14(21-22-15)13-6-7-13;1-21-6-8-22(9-7-21)15-16-5-4-13(18-15)17-14-10-12(19-20-14)11-2-3-11;1-16-25(22,23)14-5-4-11(24-14)15-17-7-6-12(19-15)18-13-8-10(20-21-13)9-2-3-9;;;;;;/h14-15,17-18H,2-13H2,1H3,(H2,23,24,25,26,27);10-11,13H,3-9H2,1-2H3,(H2,18,19,20,21,22);10-11,13H,2-9H2,1H3,(H2,18,19,20,21,22);4-5,10-11H,2-3,6-9H2,1H3,(H2,16,17,18,19,20);4-9,16H,2-3H2,1H3,(H2,17,18,19,20,21);6*1H
InChIKeyHUJIJGQKIGFXMQ-UHFFFAOYSA-N
MW1723.36 g/mol
LogP14.85
Rot. Bonds26

About 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

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 (PubChem CID 158590385) has the molecular formula C86H131N33O2S2 and a molecular weight of 1723.36 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-[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
PubChem CID158590385
Molecular FormulaC86H131N33O2S2
Molecular Weight1723.36 g/mol
Exact Mass1722.06
IUPAC Name5-[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
SMILESCCc1cnc(N2CCC(N3CCCCC3)CC2)nc1Nc1cc(C2CC2)[nH]n1.CCc1cnc(N2CCCCC2)nc1Nc1cc(C2CC2)[nH]n1.CCc1cnc(N2CCN(C)CC2)nc1Nc1cc(C2CC2)[nH]n1.CN1CCN(c2nccc(Nc3cc(C4CC4)[nH]n3)n2)CC1.CNS(=O)(=O)c1ccc(-c2nccc(Nc3cc(C4CC4)[nH]n3)n2)s1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C22H33N7.C17H25N7.C17H24N6.C15H21N7.C15H16N6O2S2.6H2/c1-2-16-15-23-22(25-21(16)24-20-14-19(26-27-20)17-6-7-17)29-12-8-18(9-13-29)28-10-4-3-5-11-28;1-3-12-11-18-17(24-8-6-23(2)7-9-24)20-16(12)19-15-10-14(21-22-15)13-4-5-13;1-2-12-11-18-17(23-8-4-3-5-9-23)20-16(12)19-15-10-14(21-22-15)13-6-7-13;1-21-6-8-22(9-7-21)15-16-5-4-13(18-15)17-14-10-12(19-20-14)11-2-3-11;1-16-25(22,23)14-5-4-11(24-14)15-17-7-6-12(19-15)18-13-8-10(20-21-13)9-2-3-9;;;;;;/h14-15,17-18H,2-13H2,1H3,(H2,23,24,25,26,27);10-11,13H,3-9H2,1-2H3,(H2,18,19,20,21,22);10-11,13H,2-9H2,1H3,(H2,18,19,20,21,22);4-5,10-11H,2-3,6-9H2,1H3,(H2,16,17,18,19,20);4-9,16H,2-3H2,1H3,(H2,17,18,19,20,21);6*1H
InChIKeyHUJIJGQKIGFXMQ-UHFFFAOYSA-N
XLogP14.85
TPSA401.30 Ų
H-Bond Donors11
H-Bond Acceptors30
Rotatable Bonds26
Heavy Atoms123
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001723.36
LogP ≤ 514.85
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1030

Analyze 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 with MolForge

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Related Compounds

5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]-N-methylthiophene-2-sulfonamide
CID 50943371
3-[(2,2-dimethylpiperidin-1-yl)methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;6-methyl-N-[5-(piperidin-1-ylmethyl)thiophen-2-yl]-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-(2-piperidin-1-ylethyl)-1,2-thiazol-5-amine
CID 123144823
ethane;(3E,5E)-N-(4-methylpent-1-en-2-yl)-5-[3-[4-(5-methylthiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]hepta-1,3,5-trien-3-amine;5-(4-methyl-3-pyridinyl)-3-[4-(5-methylthiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridine
CID 145248534
N-[6-cyclopropylsulfanyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine;N,N-dimethyl-3-[[3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]benzenesulfonamide;N-[6-ethylsulfanyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine;3-methyl-N-[6-methylsulfanyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-methyl-N-[6-propan-2-ylsulfanyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine
CID 157074322
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
6-[3-(aminomethyl)thiophen-2-yl]-N-(4-imidazol-1-ylphenyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;N-[6-[3-(aminomethyl)thiophen-2-yl]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine;3-methyl-N-[3-(1H-pyrazol-4-yl)-6-(pyrrolidin-3-ylmethyl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;N,N,3-trimethyl-5-[[3-(1-methylpyrazol-4-yl)-6-(pyrrolidin-3-ylmethyl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophene-2-sulfonamide
CID 157438941
2-[(1S,4S)-5-benzyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]thieno[3,2-d]pyrimidin-4-amine
CID 157494606
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-[(E)-prop-1-enyl]pyrimidin-2-yl]thiophene-2-sulfonamide
CID 157598804
5-[4-[(1-acetyl-5-cyclopropylpyrazol-3-yl)amino]-5-(2-trimethylsilylethynyl)pyrimidin-2-yl]-N-[2-(dimethylamino)ethyl]thiophene-2-sulfonamide;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]-N-[2-(dimethylamino)ethyl]thiophene-2-sulfonamide
CID 157780714
5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethenylpyrimidin-2-yl]thiophene-2-sulfonamide;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynyl-6-methylpyrimidin-2-yl]thiophene-2-sulfonamide;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophene-2-sulfonamide;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-fluoropyrimidin-2-yl]thiophene-2-sulfonamide;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-methylpyrimidin-2-yl]thiophene-2-sulfonamide
CID 157805539
N-tert-butyl-5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-sulfonamide;N-tert-butyl-5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-sulfonamide;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-sulfonamide;molecular hydrogen
CID 157840674

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCc1cnc(N2CCC(N3CCCCC3)CC2)nc1Nc1cc(C2CC2)[nH]n1.CCc1cnc(N2CCCCC2)nc1Nc1cc(C2CC2)[nH]n1.CCc1cnc(N2CCN(C)CC2)nc1Nc1cc(C2CC2)[nH]n1.CN1CCN(c2nccc(Nc3cc(C4CC4)[nH]n3)n2)CC1.CNS(=O)(=O)c1ccc(-c2nccc(Nc3cc(C4CC4)[nH]n3)n2)s1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].
What is the InChIKey of 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?
The InChIKey is HUJIJGQKIGFXMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N7.C17H25N7.C17H24N6.C15H21N7.C15H16N6O2S2.6H2/c1-2-16-15-23-22(25-21(16)24-20-14-19(26-27-20)17-6-7-17)29-12-8-18(9-13-29)28-10-4-3-5-11-28;1-3-12-11-18-17(24-8-6-23(2)7-9-24)20-16(12)19-15-10-14(21-22-15)13-4-5-13;1-2-12-11-18-17(23-8-4-3-5-9-23)20-16(12)19-15-10-14(21-22-15)13-6-7-13;1-21-6-8-22(9-7-21)15-16-5-4-13(18-15)17-14-10-12(19-20-14)11-2-3-11;1-16-25(22,23)14-5-4-11(24-14)15-17-7-6-12(19-15)18-13-8-10(20-21-13)9-2-3-9;;;;;;/h14-15,17-18H,2-13H2,1H3,(H2,23,24,25,26,27);10-11,13H,3-9H2,1-2H3,(H2,18,19,20,21,22);10-11,13H,2-9H2,1H3,(H2,18,19,20,21,22);4-5,10-11H,2-3,6-9H2,1H3,(H2,16,17,18,19,20);4-9,16H,2-3H2,1H3,(H2,17,18,19,20,21);6*1H.
What are the key properties of 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?
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 has a molecular weight of 1723.36 g/mol, XLogP of 14.85, 26 rotatable bonds, 11 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158590385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).