(5S)-5-[2-(4-anilino-6-pyridin-4-ylpyrimidin-2-yl)pyrrolidine-1-carbonyl]pyrrolidin-2-one

C24H24N6O2 — CID 110240225

IUPAC(5S)-5-[2-(4-anilino-6-pyridin-4-ylpyrimidin-2-yl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
SMILESO=C1CC[C@@H](C(=O)N2CCCC2c2nc(Nc3ccccc3)cc(-c3ccncc3)n2)N1
InChIInChI=1S/C24H24N6O2/c31-22-9-8-18(27-22)24(32)30-14-4-7-20(30)23-28-19(16-10-12-25-13-11-16)15-21(29-23)26-17-5-2-1-3-6-17/h1-3,5-6,10-13,15,18,20H,4,7-9,14H2,(H,27,31)(H,26,28,29)/t18-,20?/m0/s1
InChIKeyRNEWRLWEXQWZBI-LROBGIAVSA-N
MW428.50 g/mol
LogP3.22
Rot. Bonds5

About (5S)-5-[2-(4-anilino-6-pyridin-4-ylpyrimidin-2-yl)pyrrolidine-1-carbonyl]pyrrolidin-2-one

(5S)-5-[2-(4-anilino-6-pyridin-4-ylpyrimidin-2-yl)pyrrolidine-1-carbonyl]pyrrolidin-2-one (PubChem CID 110240225) has the molecular formula C24H24N6O2 and a molecular weight of 428.50 g/mol. Its IUPAC name is (5S)-5-[2-(4-anilino-6-pyridin-4-ylpyrimidin-2-yl)pyrrolidine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-5-[2-(4-anilino-6-pyridin-4-ylpyrimidin-2-yl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
PubChem CID110240225
Molecular FormulaC24H24N6O2
Molecular Weight428.50 g/mol
Exact Mass428.20
IUPAC Name(5S)-5-[2-(4-anilino-6-pyridin-4-ylpyrimidin-2-yl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
SMILESO=C1CC[C@@H](C(=O)N2CCCC2c2nc(Nc3ccccc3)cc(-c3ccncc3)n2)N1
InChIInChI=1S/C24H24N6O2/c31-22-9-8-18(27-22)24(32)30-14-4-7-20(30)23-28-19(16-10-12-25-13-11-16)15-21(29-23)26-17-5-2-1-3-6-17/h1-3,5-6,10-13,15,18,20H,4,7-9,14H2,(H,27,31)(H,26,28,29)/t18-,20?/m0/s1
InChIKeyRNEWRLWEXQWZBI-LROBGIAVSA-N
XLogP3.22
TPSA100.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.50
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (5S)-5-[2-(4-anilino-6-pyridin-4-ylpyrimidin-2-yl)pyrrolidine-1-carbonyl]pyrrolidin-2-one with MolForge

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Related Compounds

[(2R)-2-(4-anilino-6-pyridin-4-ylpyrimidin-2-yl)pyrrolidin-1-yl]-[(1R)-cyclohex-3-en-1-yl]methanone
CID 92575173
(2S)-1-[(2R)-2-(4-anilino-6-pyridin-4-ylpyrimidin-2-yl)pyrrolidin-1-yl]-2-pyrrolidin-1-ylpropan-1-one
CID 92551198
(2R)-1-[(2R)-2-(4-anilino-6-pyridin-4-ylpyrimidin-2-yl)pyrrolidin-1-yl]-2-pyrrolidin-1-ylpropan-1-one
CID 92551197
[2-(4-anilino-6-pyridin-4-ylpyrimidin-2-yl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 110240145
1-[(2S)-2-(4-anilino-6-pyridin-4-ylpyrimidin-2-yl)piperidin-1-yl]butan-1-one
CID 92586514
1-[2-(4-anilino-6-pyridin-4-ylpyrimidin-2-yl)piperidin-1-yl]butan-1-one
CID 110240135
(5R)-5-[(3S)-3-(4-anilino-6-pyridin-3-ylpyrimidin-2-yl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 95851097
(5S)-5-[3-(4-anilino-6-pyridin-3-ylpyrimidin-2-yl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 110240267
[2-(4-anilino-6-pyridin-3-ylpyrimidin-2-yl)pyrrolidin-1-yl]-cyclobutylmethanone
CID 110240191
cyclopropyl-[(2S)-2-[4-(3-fluoroanilino)-6-pyridin-4-ylpyrimidin-2-yl]pyrrolidin-1-yl]methanone
CID 92568798
(5R)-5-[(3S)-3-[4-(3-fluoroanilino)-6-pyridin-4-ylpyrimidin-2-yl]pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 92568833
cyclopentyl-[(2S)-2-[4-(3-fluoroanilino)-6-pyridin-4-ylpyrimidin-2-yl]pyrrolidin-1-yl]methanone
CID 92568808

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[2-(4-anilino-6-pyridin-4-ylpyrimidin-2-yl)pyrrolidine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of (5S)-5-[2-(4-anilino-6-pyridin-4-ylpyrimidin-2-yl)pyrrolidine-1-carbonyl]pyrrolidin-2-one (CID 110240225) is (5S)-5-[2-(4-anilino-6-pyridin-4-ylpyrimidin-2-yl)pyrrolidine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for (5S)-5-[2-(4-anilino-6-pyridin-4-ylpyrimidin-2-yl)pyrrolidine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for (5S)-5-[2-(4-anilino-6-pyridin-4-ylpyrimidin-2-yl)pyrrolidine-1-carbonyl]pyrrolidin-2-one is O=C1CC[C@@H](C(=O)N2CCCC2c2nc(Nc3ccccc3)cc(-c3ccncc3)n2)N1.
What is the InChIKey of (5S)-5-[2-(4-anilino-6-pyridin-4-ylpyrimidin-2-yl)pyrrolidine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is RNEWRLWEXQWZBI-LROBGIAVSA-N. The full InChI is InChI=1S/C24H24N6O2/c31-22-9-8-18(27-22)24(32)30-14-4-7-20(30)23-28-19(16-10-12-25-13-11-16)15-21(29-23)26-17-5-2-1-3-6-17/h1-3,5-6,10-13,15,18,20H,4,7-9,14H2,(H,27,31)(H,26,28,29)/t18-,20?/m0/s1.
What are the key properties of (5S)-5-[2-(4-anilino-6-pyridin-4-ylpyrimidin-2-yl)pyrrolidine-1-carbonyl]pyrrolidin-2-one?
(5S)-5-[2-(4-anilino-6-pyridin-4-ylpyrimidin-2-yl)pyrrolidine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 428.50 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[2-(4-anilino-6-pyridin-4-ylpyrimidin-2-yl)pyrrolidine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 110240225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).