(7S)-3-cyclohexyl-7-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione

C24H29N5O3 — CID 51700698

IUPAC(7S)-3-cyclohexyl-7-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione
SMILESCc1c(N[C@H]2CCc3c2[nH]c(=O)n(C2CCCCC2)c3=O)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C24H29N5O3/c1-15-20(23(31)29(27(15)2)17-11-7-4-8-12-17)25-19-14-13-18-21(19)26-24(32)28(22(18)30)16-9-5-3-6-10-16/h4,7-8,11-12,16,19,25H,3,5-6,9-10,13-14H2,1-2H3,(H,26,32)/t19-/m0/s1
InChIKeyMPMLYLFZNSBTHL-IBGZPJMESA-N
MW435.53 g/mol
LogP2.94
Rot. Bonds4

About (7S)-3-cyclohexyl-7-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione

(7S)-3-cyclohexyl-7-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione (PubChem CID 51700698) has the molecular formula C24H29N5O3 and a molecular weight of 435.53 g/mol. Its IUPAC name is (7S)-3-cyclohexyl-7-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name(7S)-3-cyclohexyl-7-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione
PubChem CID51700698
Molecular FormulaC24H29N5O3
Molecular Weight435.53 g/mol
Exact Mass435.23
IUPAC Name(7S)-3-cyclohexyl-7-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione
SMILESCc1c(N[C@H]2CCc3c2[nH]c(=O)n(C2CCCCC2)c3=O)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C24H29N5O3/c1-15-20(23(31)29(27(15)2)17-11-7-4-8-12-17)25-19-14-13-18-21(19)26-24(32)28(22(18)30)16-9-5-3-6-10-16/h4,7-8,11-12,16,19,25H,3,5-6,9-10,13-14H2,1-2H3,(H,26,32)/t19-/m0/s1
InChIKeyMPMLYLFZNSBTHL-IBGZPJMESA-N
XLogP2.94
TPSA93.82 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.53
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (7S)-3-cyclohexyl-7-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione with MolForge

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Launch Full Analysis

Related Compounds

N'-(3-cyclohexyl-2,4-dioxo-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-7-yl)benzohydrazide
CID 45133447
(7S)-3-cyclohexyl-7-(4-methoxyanilino)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione
CID 39847813
4-[[(3S)-1-cyclopropyl-2-oxopyrrolidin-3-yl]amino]-1,5-dimethyl-2-phenylpyrazol-3-one
CID 97065035
(7R)-3-cyclohexyl-7-phenoxy-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione
CID 51700893
cyclohexyl N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamate
CID 24844248
1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[(1R,2S)-2-methylcyclohexyl]thiourea
CID 8655486
cis-(1R,2S)-2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 1008555
(2S)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)piperidine-2-carboxamide
CID 119669112
(2S)-2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)propanamide
CID 41147237
CID 175754430
CID 175754430
(2R)-2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)propanamide
CID 41190766
(2R)-2-(1-cyclohexylbenzimidazol-2-yl)sulfanyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)propanamide
CID 41138172

Frequently Asked Questions

What is the IUPAC name of (7S)-3-cyclohexyl-7-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione?
The IUPAC name of (7S)-3-cyclohexyl-7-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione (CID 51700698) is (7S)-3-cyclohexyl-7-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione.
What is the SMILES notation for (7S)-3-cyclohexyl-7-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione?
The canonical SMILES for (7S)-3-cyclohexyl-7-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione is Cc1c(N[C@H]2CCc3c2[nH]c(=O)n(C2CCCCC2)c3=O)c(=O)n(-c2ccccc2)n1C.
What is the InChIKey of (7S)-3-cyclohexyl-7-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione?
The InChIKey is MPMLYLFZNSBTHL-IBGZPJMESA-N. The full InChI is InChI=1S/C24H29N5O3/c1-15-20(23(31)29(27(15)2)17-11-7-4-8-12-17)25-19-14-13-18-21(19)26-24(32)28(22(18)30)16-9-5-3-6-10-16/h4,7-8,11-12,16,19,25H,3,5-6,9-10,13-14H2,1-2H3,(H,26,32)/t19-/m0/s1.
What are the key properties of (7S)-3-cyclohexyl-7-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione?
(7S)-3-cyclohexyl-7-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione has a molecular weight of 435.53 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-3-cyclohexyl-7-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione is sourced from PubChem (CID 51700698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).