2-[[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]amino]methyl]-N-[2-(2-fluorophenyl)ethyl]-1,3-thiazole-4-carboxamide

C24H25FN8OS — CID 59758149

IUPAC2-[[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]amino]methyl]-N-[2-(2-fluorophenyl)ethyl]-1,3-thiazole-4-carboxamide
SMILESCc1cc(Nc2cc(C3CC3)[nH]n2)nc(NCc2nc(C(=O)NCCc3ccccc3F)cs2)n1
InChIInChI=1S/C24H25FN8OS/c1-14-10-20(30-21-11-18(32-33-21)16-6-7-16)31-24(28-14)27-12-22-29-19(13-35-22)23(34)26-9-8-15-4-2-3-5-17(15)25/h2-5,10-11,13,16H,6-9,12H2,1H3,(H,26,34)(H3,27,28,30,31,32,33)
InChIKeyNRXFMKDJWQCCGY-UHFFFAOYSA-N
MW492.58 g/mol
LogP4.31
Rot. Bonds10

About 2-[[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]amino]methyl]-N-[2-(2-fluorophenyl)ethyl]-1,3-thiazole-4-carboxamide

2-[[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]amino]methyl]-N-[2-(2-fluorophenyl)ethyl]-1,3-thiazole-4-carboxamide (PubChem CID 59758149) has the molecular formula C24H25FN8OS and a molecular weight of 492.58 g/mol. Its IUPAC name is 2-[[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]amino]methyl]-N-[2-(2-fluorophenyl)ethyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]amino]methyl]-N-[2-(2-fluorophenyl)ethyl]-1,3-thiazole-4-carboxamide
PubChem CID59758149
Molecular FormulaC24H25FN8OS
Molecular Weight492.58 g/mol
Exact Mass492.19
IUPAC Name2-[[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]amino]methyl]-N-[2-(2-fluorophenyl)ethyl]-1,3-thiazole-4-carboxamide
SMILESCc1cc(Nc2cc(C3CC3)[nH]n2)nc(NCc2nc(C(=O)NCCc3ccccc3F)cs2)n1
InChIInChI=1S/C24H25FN8OS/c1-14-10-20(30-21-11-18(32-33-21)16-6-7-16)31-24(28-14)27-12-22-29-19(13-35-22)23(34)26-9-8-15-4-2-3-5-17(15)25/h2-5,10-11,13,16H,6-9,12H2,1H3,(H,26,34)(H3,27,28,30,31,32,33)
InChIKeyNRXFMKDJWQCCGY-UHFFFAOYSA-N
XLogP4.31
TPSA120.51 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.58
LogP ≤ 54.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 2-[[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]amino]methyl]-N-[2-(2-fluorophenyl)ethyl]-1,3-thiazole-4-carboxamide with MolForge

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Related Compounds

2-(1H-indazol-3-ylamino)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
CID 24968463
2-[(5-phenyl-1H-pyrazol-3-yl)amino]-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
CID 24968464
US12409171, Name RG-0013985
CID 155424528
2-[(1-methyl-3-phenylpyrazol-5-yl)amino]-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
CID 24968116
N-[2-(3-chlorophenyl)ethyl]-2-[[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]amino]methyl]-1,3-thiazole-4-carboxamide
CID 59757793
4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methyl-2-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]pyrimidine-2,4-diamine
CID 59757858
2-(4-(2-ethvl-3-((4-(4-fluorophenyl) thiazol-2-yl)(methyl)amino) imidazo[1,2-blpyridazin-6-yl)piperazin-1-yl)-N-methylacetamide
CID 117763876
[2-(2-Fluorophenyl)-1,3-thiazol-4-yl]-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]methanone
CID 71930169
N-(2-(2-(2-fluorophenyl)thiazol-4-yl)phenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 86264884
(3-Anilino-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-(1,3-thiazol-4-yl)methanone
CID 95828804
N-(2-((6-(3,5-dimethyl-1H-pyrazol-1-yl)pyrimidin-4-yl)amino)ethyl)-4-methyl-2-phenylthiazole-5-carboxamide
CID 44071165
N-[5-(2,3-difluorophenyl)-1H-pyrazol-3-yl]-1,3-thiazole-4-carboxamide
CID 71969368

Frequently Asked Questions

What is the IUPAC name of 2-[[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]amino]methyl]-N-[2-(2-fluorophenyl)ethyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]amino]methyl]-N-[2-(2-fluorophenyl)ethyl]-1,3-thiazole-4-carboxamide (CID 59758149) is 2-[[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]amino]methyl]-N-[2-(2-fluorophenyl)ethyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]amino]methyl]-N-[2-(2-fluorophenyl)ethyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]amino]methyl]-N-[2-(2-fluorophenyl)ethyl]-1,3-thiazole-4-carboxamide is Cc1cc(Nc2cc(C3CC3)[nH]n2)nc(NCc2nc(C(=O)NCCc3ccccc3F)cs2)n1.
What is the InChIKey of 2-[[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]amino]methyl]-N-[2-(2-fluorophenyl)ethyl]-1,3-thiazole-4-carboxamide?
The InChIKey is NRXFMKDJWQCCGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN8OS/c1-14-10-20(30-21-11-18(32-33-21)16-6-7-16)31-24(28-14)27-12-22-29-19(13-35-22)23(34)26-9-8-15-4-2-3-5-17(15)25/h2-5,10-11,13,16H,6-9,12H2,1H3,(H,26,34)(H3,27,28,30,31,32,33).
What are the key properties of 2-[[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]amino]methyl]-N-[2-(2-fluorophenyl)ethyl]-1,3-thiazole-4-carboxamide?
2-[[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]amino]methyl]-N-[2-(2-fluorophenyl)ethyl]-1,3-thiazole-4-carboxamide has a molecular weight of 492.58 g/mol, XLogP of 4.31, 10 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]amino]methyl]-N-[2-(2-fluorophenyl)ethyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 59758149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).