2-[1-[5-methyl-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazole-4-carbonyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide

C21H23N7O3S — CID 137049657

IUPAC2-[1-[5-methyl-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazole-4-carbonyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide
SMILESCc1c(C(=O)N2CCC(c3nc(C(N)=O)cs3)CC2)cnn1-c1nc2c(c(=O)[nH]1)CCC2
InChIInChI=1S/C21H23N7O3S/c1-11-14(9-23-28(11)21-25-15-4-2-3-13(15)18(30)26-21)20(31)27-7-5-12(6-8-27)19-24-16(10-32-19)17(22)29/h9-10,12H,2-8H2,1H3,(H2,22,29)(H,25,26,30)
InChIKeyFIQWDMVHGGMVTR-UHFFFAOYSA-N
MW453.53 g/mol
LogP1.33
Rot. Bonds4

About 2-[1-[5-methyl-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazole-4-carbonyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide

2-[1-[5-methyl-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazole-4-carbonyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide (PubChem CID 137049657) has the molecular formula C21H23N7O3S and a molecular weight of 453.53 g/mol. Its IUPAC name is 2-[1-[5-methyl-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazole-4-carbonyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[1-[5-methyl-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazole-4-carbonyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide
PubChem CID137049657
Molecular FormulaC21H23N7O3S
Molecular Weight453.53 g/mol
Exact Mass453.16
IUPAC Name2-[1-[5-methyl-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazole-4-carbonyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide
SMILESCc1c(C(=O)N2CCC(c3nc(C(N)=O)cs3)CC2)cnn1-c1nc2c(c(=O)[nH]1)CCC2
InChIInChI=1S/C21H23N7O3S/c1-11-14(9-23-28(11)21-25-15-4-2-3-13(15)18(30)26-21)20(31)27-7-5-12(6-8-27)19-24-16(10-32-19)17(22)29/h9-10,12H,2-8H2,1H3,(H2,22,29)(H,25,26,30)
InChIKeyFIQWDMVHGGMVTR-UHFFFAOYSA-N
XLogP1.33
TPSA139.86 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.53
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[1-[5-methyl-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazole-4-carbonyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide with MolForge

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Related Compounds

2-[5-Methyl-4-[4-(1,3-thiazol-2-yl)piperidine-1-carbonyl]pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
CID 137049585
5-[5-methyl-4-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrazol-1-yl]-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one
CID 126750776
2-[1-[5-Methyl-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazole-4-carbonyl]piperidin-4-yl]-1,3-thiazole-4-carbonitrile
CID 137049598
2-[5-Methyl-4-[4-(4-phenyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
CID 137049646
[1-(4-Tert-butyl-1,3-thiazol-2-yl)-5-propylpyrazol-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 1197211
1-[4-[1-(4-Tert-butyl-1,3-thiazol-2-yl)-5-ethylpyrazole-4-carbonyl]-2-methylpiperazin-1-yl]-3-methylbutan-1-one
CID 42725731
1-[4-[1-(4-Tert-butyl-1,3-thiazol-2-yl)-5-propylpyrazole-4-carbonyl]-2-methylpiperazin-1-yl]nonan-1-one
CID 42725736
3-[[1-(2-acetamidoacetyl)piperidin-4-yl]methyl]-1-methyl-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide
CID 92637511
1-methyl-3-[[1-[2-[(3R)-3-methylpiperidin-1-yl]acetyl]piperidin-4-yl]methyl]-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide
CID 92637545
1-methyl-3-[[1-[2-[(3S)-3-methylpiperidin-1-yl]acetyl]piperidin-4-yl]methyl]-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide
CID 92637546
1-methyl-3-[[1-[2-(3-methylpiperidin-1-yl)acetyl]piperidin-4-yl]methyl]-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide
CID 110250986
2-(cyclopropylamino)-N-[[3-(propan-2-ylcarbamoyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]methyl]-1,3-thiazole-4-carboxamide
CID 128973224

Frequently Asked Questions

What is the IUPAC name of 2-[1-[5-methyl-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazole-4-carbonyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[1-[5-methyl-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazole-4-carbonyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide (CID 137049657) is 2-[1-[5-methyl-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazole-4-carbonyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[1-[5-methyl-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazole-4-carbonyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[1-[5-methyl-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazole-4-carbonyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide is Cc1c(C(=O)N2CCC(c3nc(C(N)=O)cs3)CC2)cnn1-c1nc2c(c(=O)[nH]1)CCC2.
What is the InChIKey of 2-[1-[5-methyl-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazole-4-carbonyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is FIQWDMVHGGMVTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N7O3S/c1-11-14(9-23-28(11)21-25-15-4-2-3-13(15)18(30)26-21)20(31)27-7-5-12(6-8-27)19-24-16(10-32-19)17(22)29/h9-10,12H,2-8H2,1H3,(H2,22,29)(H,25,26,30).
What are the key properties of 2-[1-[5-methyl-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazole-4-carbonyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide?
2-[1-[5-methyl-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazole-4-carbonyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 453.53 g/mol, XLogP of 1.33, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[5-methyl-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazole-4-carbonyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 137049657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).