5-amino-2-[4-(cyclopropanecarbonylamino)phenyl]sulfanyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-N-pyridin-4-ylpyrimidine-4-carboxamide

C24H23N9O2S — CID 11555130

IUPAC5-amino-2-[4-(cyclopropanecarbonylamino)phenyl]sulfanyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-N-pyridin-4-ylpyrimidine-4-carboxamide
SMILESCc1cc(Nc2nc(Sc3ccc(NC(=O)C4CC4)cc3)nc(C(=O)Nc3ccncc3)c2N)n[nH]1
InChIInChI=1S/C24H23N9O2S/c1-13-12-18(33-32-13)29-21-19(25)20(23(35)28-16-8-10-26-11-9-16)30-24(31-21)36-17-6-4-15(5-7-17)27-22(34)14-2-3-14/h4-12,14H,2-3,25H2,1H3,(H,27,34)(H,26,28,35)(H2,29,30,31,32,33)
InChIKeyXZDCPMBCODKBMP-UHFFFAOYSA-N
MW501.58 g/mol
LogP3.98
Rot. Bonds8

About 5-amino-2-[4-(cyclopropanecarbonylamino)phenyl]sulfanyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-N-pyridin-4-ylpyrimidine-4-carboxamide

5-amino-2-[4-(cyclopropanecarbonylamino)phenyl]sulfanyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-N-pyridin-4-ylpyrimidine-4-carboxamide (PubChem CID 11555130) has the molecular formula C24H23N9O2S and a molecular weight of 501.58 g/mol. Its IUPAC name is 5-amino-2-[4-(cyclopropanecarbonylamino)phenyl]sulfanyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-N-pyridin-4-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-amino-2-[4-(cyclopropanecarbonylamino)phenyl]sulfanyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-N-pyridin-4-ylpyrimidine-4-carboxamide
PubChem CID11555130
Molecular FormulaC24H23N9O2S
Molecular Weight501.58 g/mol
Exact Mass501.17
IUPAC Name5-amino-2-[4-(cyclopropanecarbonylamino)phenyl]sulfanyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-N-pyridin-4-ylpyrimidine-4-carboxamide
SMILESCc1cc(Nc2nc(Sc3ccc(NC(=O)C4CC4)cc3)nc(C(=O)Nc3ccncc3)c2N)n[nH]1
InChIInChI=1S/C24H23N9O2S/c1-13-12-18(33-32-13)29-21-19(25)20(23(35)28-16-8-10-26-11-9-16)30-24(31-21)36-17-6-4-15(5-7-17)27-22(34)14-2-3-14/h4-12,14H,2-3,25H2,1H3,(H,27,34)(H,26,28,35)(H2,29,30,31,32,33)
InChIKeyXZDCPMBCODKBMP-UHFFFAOYSA-N
XLogP3.98
TPSA163.60 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.58
LogP ≤ 53.98
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Analyze 5-amino-2-[4-(cyclopropanecarbonylamino)phenyl]sulfanyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-N-pyridin-4-ylpyrimidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-amino-2-[4-(cyclopropanecarbonylamino)phenyl]sulfanyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-N-phenylpyrimidine-4-carboxamide
CID 11511681
5-amino-2-[4-(cyclopropanecarbonylamino)phenyl]sulfanyl-N-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidine-4-carboxamide
CID 11690693
5-amino-2-[4-(cyclopropanecarbonylamino)phenyl]sulfanyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide
CID 11699070
N-[4-[4,5-dimethyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]cyclopropanecarboxamide
CID 134363249
N-[4-[4-chloro-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]cyclopropanecarboxamide
CID 24747174
N-[4-[5-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-piperidin-1-ylpyrimidin-2-yl]sulfanylphenyl]cyclopropanecarboxamide
CID 122625482
N-[4-[4-[2-(dimethylamino)ethyl-methylamino]-5-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]cyclopropanecarboxamide
CID 134363610
N-[4-[[5-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]sulfanyl]phenyl]cyclopentanecarboxamide
CID 122635293
N-[4-[5-chloro-4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]cyclopropanecarboxamide
CID 134363630
N-[4-[5-methoxy-4-[2-methoxyethyl(methyl)amino]-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]cyclopropanecarboxamide
CID 122625471
N-[4-[5-ethyl-4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]cyclopropanecarboxamide
CID 134363508
N-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-(2-pyrrolidin-1-ylethylamino)pyrimidin-2-yl]sulfanylphenyl]cyclopropanecarboxamide
CID 10050769

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[4-(cyclopropanecarbonylamino)phenyl]sulfanyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-N-pyridin-4-ylpyrimidine-4-carboxamide?
The IUPAC name of 5-amino-2-[4-(cyclopropanecarbonylamino)phenyl]sulfanyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-N-pyridin-4-ylpyrimidine-4-carboxamide (CID 11555130) is 5-amino-2-[4-(cyclopropanecarbonylamino)phenyl]sulfanyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-N-pyridin-4-ylpyrimidine-4-carboxamide.
What is the SMILES notation for 5-amino-2-[4-(cyclopropanecarbonylamino)phenyl]sulfanyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-N-pyridin-4-ylpyrimidine-4-carboxamide?
The canonical SMILES for 5-amino-2-[4-(cyclopropanecarbonylamino)phenyl]sulfanyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-N-pyridin-4-ylpyrimidine-4-carboxamide is Cc1cc(Nc2nc(Sc3ccc(NC(=O)C4CC4)cc3)nc(C(=O)Nc3ccncc3)c2N)n[nH]1.
What is the InChIKey of 5-amino-2-[4-(cyclopropanecarbonylamino)phenyl]sulfanyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-N-pyridin-4-ylpyrimidine-4-carboxamide?
The InChIKey is XZDCPMBCODKBMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N9O2S/c1-13-12-18(33-32-13)29-21-19(25)20(23(35)28-16-8-10-26-11-9-16)30-24(31-21)36-17-6-4-15(5-7-17)27-22(34)14-2-3-14/h4-12,14H,2-3,25H2,1H3,(H,27,34)(H,26,28,35)(H2,29,30,31,32,33).
What are the key properties of 5-amino-2-[4-(cyclopropanecarbonylamino)phenyl]sulfanyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-N-pyridin-4-ylpyrimidine-4-carboxamide?
5-amino-2-[4-(cyclopropanecarbonylamino)phenyl]sulfanyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-N-pyridin-4-ylpyrimidine-4-carboxamide has a molecular weight of 501.58 g/mol, XLogP of 3.98, 8 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[4-(cyclopropanecarbonylamino)phenyl]sulfanyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-N-pyridin-4-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 11555130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).