7-cyclohexyl-5,6-diphenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one

C24H23N3O — CID 137243595

IUPAC7-cyclohexyl-5,6-diphenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2c1c(-c1ccccc1)c(-c1ccccc1)n2C1CCCCC1
InChIInChI=1S/C24H23N3O/c28-24-21-20(17-10-4-1-5-11-17)22(18-12-6-2-7-13-18)27(23(21)25-16-26-24)19-14-8-3-9-15-19/h1-2,4-7,10-13,16,19H,3,8-9,14-15H2,(H,25,26,28)
InChIKeyASFSTFRRRLWVKP-UHFFFAOYSA-N
MW369.47 g/mol
LogP5.56
Rot. Bonds3

About 7-cyclohexyl-5,6-diphenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one

7-cyclohexyl-5,6-diphenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one (PubChem CID 137243595) has the molecular formula C24H23N3O and a molecular weight of 369.47 g/mol. Its IUPAC name is 7-cyclohexyl-5,6-diphenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-cyclohexyl-5,6-diphenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one
PubChem CID137243595
Molecular FormulaC24H23N3O
Molecular Weight369.47 g/mol
Exact Mass369.18
IUPAC Name7-cyclohexyl-5,6-diphenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2c1c(-c1ccccc1)c(-c1ccccc1)n2C1CCCCC1
InChIInChI=1S/C24H23N3O/c28-24-21-20(17-10-4-1-5-11-17)22(18-12-6-2-7-13-18)27(23(21)25-16-26-24)19-14-8-3-9-15-19/h1-2,4-7,10-13,16,19H,3,8-9,14-15H2,(H,25,26,28)
InChIKeyASFSTFRRRLWVKP-UHFFFAOYSA-N
XLogP5.56
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.47
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-[2-((E)-Styryl)-pyridin-4-yl]-3,7-dihydro-pyrrolo[2,3-d]pyrimidin-4-one
CID 135441367
2-Amino-5,6-Diphenyl-3h-Pyrrolo[2,3-D]pyrimidin-4(7h)-One
CID 135566678
5,7-Diphenyl-7H-pyrrolo[2,3-d]pyrimidin-4-ol
CID 135463744
2-Amino-5-Phenethyl-6-Phenyl-3h-Pyrrolo[2,3-D]pyrimidin-4(7h)-One
CID 135566680
N-[3-[3-ethyl-6-[4-(4-methylpiperazin-1-yl)phenyl]-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]prop-2-enamide
CID 145945998
7-(4-bromophenyl)-5-phenyl-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one
CID 135493519
N-[3-[3-cyclohexyl-6-[4-(4-methylpiperazin-1-yl)phenyl]-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]propanamide
CID 168299514
7-(4-Fluorophenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-ol
CID 135500640
9-Phenyl-9H-1,3,9-triaza-fluoren-4-ol
CID 136044063
9-Phenyl-6,7,8,9-tetrahydro-5H-1,3,9-triaza-fluoren-4-ol
CID 136056551
6-Benzoyl-5-phenyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
CID 136219305
6-Benzoyl-5-(3-iodophenyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
CID 136244577

Frequently Asked Questions

What is the IUPAC name of 7-cyclohexyl-5,6-diphenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one?
The IUPAC name of 7-cyclohexyl-5,6-diphenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one (CID 137243595) is 7-cyclohexyl-5,6-diphenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 7-cyclohexyl-5,6-diphenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one?
The canonical SMILES for 7-cyclohexyl-5,6-diphenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one is O=c1[nH]cnc2c1c(-c1ccccc1)c(-c1ccccc1)n2C1CCCCC1.
What is the InChIKey of 7-cyclohexyl-5,6-diphenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one?
The InChIKey is ASFSTFRRRLWVKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O/c28-24-21-20(17-10-4-1-5-11-17)22(18-12-6-2-7-13-18)27(23(21)25-16-26-24)19-14-8-3-9-15-19/h1-2,4-7,10-13,16,19H,3,8-9,14-15H2,(H,25,26,28).
What are the key properties of 7-cyclohexyl-5,6-diphenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one?
7-cyclohexyl-5,6-diphenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one has a molecular weight of 369.47 g/mol, XLogP of 5.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclohexyl-5,6-diphenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 137243595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).