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

C26H26N6O3 — CID 137049654

IUPAC2-[5-methyl-4-[4-(4-phenyl-1,3-oxazol-2-yl)piperidine-1-carbonyl]pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
SMILESCc1c(C(=O)N2CCC(c3nc(-c4ccccc4)co3)CC2)cnn1-c1nc2c(c(=O)[nH]1)CCC2
InChIInChI=1S/C26H26N6O3/c1-16-20(14-27-32(16)26-29-21-9-5-8-19(21)23(33)30-26)25(34)31-12-10-18(11-13-31)24-28-22(15-35-24)17-6-3-2-4-7-17/h2-4,6-7,14-15,18H,5,8-13H2,1H3,(H,29,30,33)
InChIKeyNBZNCYSXHUWFAK-UHFFFAOYSA-N
MW470.53 g/mol
LogP3.43
Rot. Bonds4

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

2-[5-methyl-4-[4-(4-phenyl-1,3-oxazol-2-yl)piperidine-1-carbonyl]pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one (PubChem CID 137049654) has the molecular formula C26H26N6O3 and a molecular weight of 470.53 g/mol. Its IUPAC name is 2-[5-methyl-4-[4-(4-phenyl-1,3-oxazol-2-yl)piperidine-1-carbonyl]pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one.

Molecular Properties

Compound Name2-[5-methyl-4-[4-(4-phenyl-1,3-oxazol-2-yl)piperidine-1-carbonyl]pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
PubChem CID137049654
Molecular FormulaC26H26N6O3
Molecular Weight470.53 g/mol
Exact Mass470.21
IUPAC Name2-[5-methyl-4-[4-(4-phenyl-1,3-oxazol-2-yl)piperidine-1-carbonyl]pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
SMILESCc1c(C(=O)N2CCC(c3nc(-c4ccccc4)co3)CC2)cnn1-c1nc2c(c(=O)[nH]1)CCC2
InChIInChI=1S/C26H26N6O3/c1-16-20(14-27-32(16)26-29-21-9-5-8-19(21)23(33)30-26)25(34)31-12-10-18(11-13-31)24-28-22(15-35-24)17-6-3-2-4-7-17/h2-4,6-7,14-15,18H,5,8-13H2,1H3,(H,29,30,33)
InChIKeyNBZNCYSXHUWFAK-UHFFFAOYSA-N
XLogP3.43
TPSA109.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.53
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[5-methyl-4-[4-(4-phenyl-1,3-oxazol-2-yl)piperidine-1-carbonyl]pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one with MolForge

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Related Compounds

2-[4-[4-(benzenesulfonyl)piperidine-1-carbonyl]-5-methylpyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
CID 137049322
2-[4-[4-(1H-indol-3-yl)piperidine-1-carbonyl]-5-methylpyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
CID 137049135
2-[4-(3-hydroxy-3-phenyl-8-azabicyclo[3.2.1]octane-8-carbonyl)-5-methylpyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
CID 137129930
2-[5-methyl-4-[2-methyl-4-(trifluoromethyl)piperidine-1-carbonyl]pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
CID 137049148
methyl 5-methyl-1-(5-oxo-2,4-diazabicyclo[4.2.0]octa-1(6),2-dien-3-yl)pyrazole-4-carboxylate
CID 137128026
2-amino-1-[3-(4-phenyl-1,3-oxazol-2-yl)pyrrolidin-1-yl]ethanone
CID 141175304
5-methyl-4-(4-methylpiperidine-1-carbonyl)-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazole-3-carboxamide
CID 137128051
2-[4-(2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-6-carbonyl)-5-methylpyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
CID 137049631
2-[5-methyl-4-[4-(oxolan-2-ylmethyl)piperazine-1-carbonyl]pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
CID 137049812
2-(3-methylpiperidin-1-yl)-6-(5-phenyl-1H-pyrazole-4-carbonyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136907828
N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 136636543
2-methyl-5-[1-(5-methyl-1-phenylpyrazole-4-carbonyl)piperidin-4-yl]-4-phenyl-1,2,4-triazol-3-one
CID 90540357

Frequently Asked Questions

What is the IUPAC name of 2-[5-methyl-4-[4-(4-phenyl-1,3-oxazol-2-yl)piperidine-1-carbonyl]pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one?
The IUPAC name of 2-[5-methyl-4-[4-(4-phenyl-1,3-oxazol-2-yl)piperidine-1-carbonyl]pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one (CID 137049654) is 2-[5-methyl-4-[4-(4-phenyl-1,3-oxazol-2-yl)piperidine-1-carbonyl]pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one.
What is the SMILES notation for 2-[5-methyl-4-[4-(4-phenyl-1,3-oxazol-2-yl)piperidine-1-carbonyl]pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one?
The canonical SMILES for 2-[5-methyl-4-[4-(4-phenyl-1,3-oxazol-2-yl)piperidine-1-carbonyl]pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one is Cc1c(C(=O)N2CCC(c3nc(-c4ccccc4)co3)CC2)cnn1-c1nc2c(c(=O)[nH]1)CCC2.
What is the InChIKey of 2-[5-methyl-4-[4-(4-phenyl-1,3-oxazol-2-yl)piperidine-1-carbonyl]pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one?
The InChIKey is NBZNCYSXHUWFAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N6O3/c1-16-20(14-27-32(16)26-29-21-9-5-8-19(21)23(33)30-26)25(34)31-12-10-18(11-13-31)24-28-22(15-35-24)17-6-3-2-4-7-17/h2-4,6-7,14-15,18H,5,8-13H2,1H3,(H,29,30,33).
What are the key properties of 2-[5-methyl-4-[4-(4-phenyl-1,3-oxazol-2-yl)piperidine-1-carbonyl]pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one?
2-[5-methyl-4-[4-(4-phenyl-1,3-oxazol-2-yl)piperidine-1-carbonyl]pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one has a molecular weight of 470.53 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methyl-4-[4-(4-phenyl-1,3-oxazol-2-yl)piperidine-1-carbonyl]pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one is sourced from PubChem (CID 137049654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).