(3S)-3-[methyl-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]-1-phenylpyrrolidin-2-one

C23H23N5O — CID 157029421

IUPAC(3S)-3-[methyl-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]-1-phenylpyrrolidin-2-one
SMILESCN(c1nc(-c2ccccn2)nc2c1CCC2)[C@H]1CCN(c2ccccc2)C1=O
InChIInChI=1S/C23H23N5O/c1-27(20-13-15-28(23(20)29)16-8-3-2-4-9-16)22-17-10-7-12-18(17)25-21(26-22)19-11-5-6-14-24-19/h2-6,8-9,11,14,20H,7,10,12-13,15H2,1H3/t20-/m0/s1
InChIKeyOCVPIMDLBQZXNN-FQEVSTJZSA-N
MW385.47 g/mol
LogP3.27
Rot. Bonds4

About (3S)-3-[methyl-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]-1-phenylpyrrolidin-2-one

(3S)-3-[methyl-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]-1-phenylpyrrolidin-2-one (PubChem CID 157029421) has the molecular formula C23H23N5O and a molecular weight of 385.47 g/mol. Its IUPAC name is (3S)-3-[methyl-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]-1-phenylpyrrolidin-2-one.

Molecular Properties

Compound Name(3S)-3-[methyl-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]-1-phenylpyrrolidin-2-one
PubChem CID157029421
Molecular FormulaC23H23N5O
Molecular Weight385.47 g/mol
Exact Mass385.19
IUPAC Name(3S)-3-[methyl-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]-1-phenylpyrrolidin-2-one
SMILESCN(c1nc(-c2ccccn2)nc2c1CCC2)[C@H]1CCN(c2ccccc2)C1=O
InChIInChI=1S/C23H23N5O/c1-27(20-13-15-28(23(20)29)16-8-3-2-4-9-16)22-17-10-7-12-18(17)25-21(26-22)19-11-5-6-14-24-19/h2-6,8-9,11,14,20H,7,10,12-13,15H2,1H3/t20-/m0/s1
InChIKeyOCVPIMDLBQZXNN-FQEVSTJZSA-N
XLogP3.27
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-[methyl-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]-1-phenylpyrrolidin-2-one?
The IUPAC name of (3S)-3-[methyl-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]-1-phenylpyrrolidin-2-one (CID 157029421) is (3S)-3-[methyl-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]-1-phenylpyrrolidin-2-one.
What is the SMILES notation for (3S)-3-[methyl-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]-1-phenylpyrrolidin-2-one?
The canonical SMILES for (3S)-3-[methyl-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]-1-phenylpyrrolidin-2-one is CN(c1nc(-c2ccccn2)nc2c1CCC2)[C@H]1CCN(c2ccccc2)C1=O.
What is the InChIKey of (3S)-3-[methyl-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]-1-phenylpyrrolidin-2-one?
The InChIKey is OCVPIMDLBQZXNN-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H23N5O/c1-27(20-13-15-28(23(20)29)16-8-3-2-4-9-16)22-17-10-7-12-18(17)25-21(26-22)19-11-5-6-14-24-19/h2-6,8-9,11,14,20H,7,10,12-13,15H2,1H3/t20-/m0/s1.
What are the key properties of (3S)-3-[methyl-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]-1-phenylpyrrolidin-2-one?
(3S)-3-[methyl-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]-1-phenylpyrrolidin-2-one has a molecular weight of 385.47 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[methyl-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]-1-phenylpyrrolidin-2-one is sourced from PubChem (CID 157029421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).