2-[5-methyl-4-(2-pyridin-3-ylpiperidine-1-carbonyl)pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one

C22H24N6O2 — CID 137049207

IUPAC2-[5-methyl-4-(2-pyridin-3-ylpiperidine-1-carbonyl)pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
SMILESCc1c(C(=O)N2CCCCC2c2cccnc2)cnn1-c1nc2c(c(=O)[nH]1)CCC2
InChIInChI=1S/C22H24N6O2/c1-14-17(13-24-28(14)22-25-18-8-4-7-16(18)20(29)26-22)21(30)27-11-3-2-9-19(27)15-6-5-10-23-12-15/h5-6,10,12-13,19H,2-4,7-9,11H2,1H3,(H,25,26,29)
InChIKeyRBAICXNNIGRGNL-UHFFFAOYSA-N
MW404.47 g/mol
LogP2.52
Rot. Bonds3

About 2-[5-methyl-4-(2-pyridin-3-ylpiperidine-1-carbonyl)pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one

2-[5-methyl-4-(2-pyridin-3-ylpiperidine-1-carbonyl)pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one (PubChem CID 137049207) has the molecular formula C22H24N6O2 and a molecular weight of 404.47 g/mol. Its IUPAC name is 2-[5-methyl-4-(2-pyridin-3-ylpiperidine-1-carbonyl)pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one.

Molecular Properties

Compound Name2-[5-methyl-4-(2-pyridin-3-ylpiperidine-1-carbonyl)pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
PubChem CID137049207
Molecular FormulaC22H24N6O2
Molecular Weight404.47 g/mol
Exact Mass404.20
IUPAC Name2-[5-methyl-4-(2-pyridin-3-ylpiperidine-1-carbonyl)pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
SMILESCc1c(C(=O)N2CCCCC2c2cccnc2)cnn1-c1nc2c(c(=O)[nH]1)CCC2
InChIInChI=1S/C22H24N6O2/c1-14-17(13-24-28(14)22-25-18-8-4-7-16(18)20(29)26-22)21(30)27-11-3-2-9-19(27)15-6-5-10-23-12-15/h5-6,10,12-13,19H,2-4,7-9,11H2,1H3,(H,25,26,29)
InChIKeyRBAICXNNIGRGNL-UHFFFAOYSA-N
XLogP2.52
TPSA96.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(11R,15S)-5-anilino-8-methyl-4-[(4-pyridin-2-ylphenyl)methyl]-1,3,4,8,10-pentazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one
CID 11988837
2-[2-[(1-Methylpyrazol-3-yl)amino]-4-pyridinyl]-6-piperazin-1-ylpyridine-4-carboxamide
CID 46901543
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[3-(4-fluorophenyl)pyrazol-1-yl]pyridine-3-carboxamide
CID 66720197
CID 137049058
CID 137049058
N-[4-[(7R)-4-oxo-7-propan-2-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-2-yl]-2-pyridinyl]cyclopropanecarboxamide
CID 157049302
6-[(5R)-5-benzamidocyclohex-1-en-1-yl]-3-[(1-methyl-1H-pyrazol-4-yl)amino]pyrazine-2-carboxamide
CID 162639718
5-methyl-7-(2-methylpropyl)-2-(naphthalen-1-ylmethyl)-3-pyridin-4-yl-2H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione
CID 16069302
1,3,10-trimethylpyrimido[4',5':3,4]pyrrolo[1,2-b]pyridazine-2,4(1H,3H)-dione
CID 753710
3-[2-(cyclopropylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-N,N-dimethylpyrazolo[1,5-a]pyridine-6-carboxamide
CID 10112596
Phenyl-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone
CID 10499712
(3-Methylphenyl)-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone
CID 10644061
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(4-phenylpyrazol-1-yl)pyridine-3-carboxamide
CID 25156794

Frequently Asked Questions

What is the IUPAC name of 2-[5-methyl-4-(2-pyridin-3-ylpiperidine-1-carbonyl)pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one?
The IUPAC name of 2-[5-methyl-4-(2-pyridin-3-ylpiperidine-1-carbonyl)pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one (CID 137049207) is 2-[5-methyl-4-(2-pyridin-3-ylpiperidine-1-carbonyl)pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one.
What is the SMILES notation for 2-[5-methyl-4-(2-pyridin-3-ylpiperidine-1-carbonyl)pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one?
The canonical SMILES for 2-[5-methyl-4-(2-pyridin-3-ylpiperidine-1-carbonyl)pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one is Cc1c(C(=O)N2CCCCC2c2cccnc2)cnn1-c1nc2c(c(=O)[nH]1)CCC2.
What is the InChIKey of 2-[5-methyl-4-(2-pyridin-3-ylpiperidine-1-carbonyl)pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one?
The InChIKey is RBAICXNNIGRGNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O2/c1-14-17(13-24-28(14)22-25-18-8-4-7-16(18)20(29)26-22)21(30)27-11-3-2-9-19(27)15-6-5-10-23-12-15/h5-6,10,12-13,19H,2-4,7-9,11H2,1H3,(H,25,26,29).
What are the key properties of 2-[5-methyl-4-(2-pyridin-3-ylpiperidine-1-carbonyl)pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one?
2-[5-methyl-4-(2-pyridin-3-ylpiperidine-1-carbonyl)pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one has a molecular weight of 404.47 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methyl-4-(2-pyridin-3-ylpiperidine-1-carbonyl)pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one is sourced from PubChem (CID 137049207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).