[(3R)-3-(4-anilino-6-pyridin-3-ylpyrimidin-2-yl)pyrrolidin-1-yl]-cyclopropylmethanone

C23H23N5O — CID 92575229

IUPAC[(3R)-3-(4-anilino-6-pyridin-3-ylpyrimidin-2-yl)pyrrolidin-1-yl]-cyclopropylmethanone
SMILESO=C(C1CC1)N1CC[C@@H](c2nc(Nc3ccccc3)cc(-c3cccnc3)n2)C1
InChIInChI=1S/C23H23N5O/c29-23(16-8-9-16)28-12-10-18(15-28)22-26-20(17-5-4-11-24-14-17)13-21(27-22)25-19-6-2-1-3-7-19/h1-7,11,13-14,16,18H,8-10,12,15H2,(H,25,26,27)/t18-/m1/s1
InChIKeyHPOGZVNJXSMKFQ-GOSISDBHSA-N
MW385.47 g/mol
LogP4.01
Rot. Bonds5

About [(3R)-3-(4-anilino-6-pyridin-3-ylpyrimidin-2-yl)pyrrolidin-1-yl]-cyclopropylmethanone

[(3R)-3-(4-anilino-6-pyridin-3-ylpyrimidin-2-yl)pyrrolidin-1-yl]-cyclopropylmethanone (PubChem CID 92575229) has the molecular formula C23H23N5O and a molecular weight of 385.47 g/mol. Its IUPAC name is [(3R)-3-(4-anilino-6-pyridin-3-ylpyrimidin-2-yl)pyrrolidin-1-yl]-cyclopropylmethanone.

Molecular Properties

Compound Name[(3R)-3-(4-anilino-6-pyridin-3-ylpyrimidin-2-yl)pyrrolidin-1-yl]-cyclopropylmethanone
PubChem CID92575229
Molecular FormulaC23H23N5O
Molecular Weight385.47 g/mol
Exact Mass385.19
IUPAC Name[(3R)-3-(4-anilino-6-pyridin-3-ylpyrimidin-2-yl)pyrrolidin-1-yl]-cyclopropylmethanone
SMILESO=C(C1CC1)N1CC[C@@H](c2nc(Nc3ccccc3)cc(-c3cccnc3)n2)C1
InChIInChI=1S/C23H23N5O/c29-23(16-8-9-16)28-12-10-18(15-28)22-26-20(17-5-4-11-24-14-17)13-21(27-22)25-19-6-2-1-3-7-19/h1-7,11,13-14,16,18H,8-10,12,15H2,(H,25,26,27)/t18-/m1/s1
InChIKeyHPOGZVNJXSMKFQ-GOSISDBHSA-N
XLogP4.01
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(3R)-3-(4-anilino-6-pyridin-3-ylpyrimidin-2-yl)pyrrolidin-1-yl]-cyclopropylmethanone with MolForge

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Related Compounds

[3-(4-anilino-6-pyridin-3-ylpyrimidin-2-yl)piperidin-1-yl]-cyclopentylmethanone
CID 110240107
4-[3-(4-anilino-6-pyridin-3-ylpyrimidin-2-yl)pyrrolidine-1-carbonyl]-1-methylpyrrolidin-2-one
CID 110243881
[(3S)-3-(4-anilino-6-pyridin-3-ylpyrimidin-2-yl)pyrrolidin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 92575246
(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
1-[3-(4-anilino-6-pyridin-3-ylpyrimidin-2-yl)pyrrolidin-1-yl]butan-1-one
CID 110240231
1-[3-(4-anilino-6-pyridin-3-ylpyrimidin-2-yl)pyrrolidin-1-yl]-2-ethylbutan-1-one
CID 110240248
[(3R)-3-(4-anilino-6-pyridin-3-ylpyrimidin-2-yl)piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 92575112
[(3S)-3-(4-anilino-6-pyridin-4-ylpyrimidin-2-yl)piperidin-1-yl]-cyclobutylmethanone
CID 92575090
[2-(4-anilino-6-pyridin-3-ylpyrimidin-2-yl)pyrrolidin-1-yl]-cyclobutylmethanone
CID 110240191
[3-(4-anilino-6-pyridin-4-ylpyrimidin-2-yl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 110240084
2-(1-methylpiperidin-2-yl)-N-phenyl-6-pyridin-3-ylpyrimidin-4-amine
CID 110240122

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(4-anilino-6-pyridin-3-ylpyrimidin-2-yl)pyrrolidin-1-yl]-cyclopropylmethanone?
The IUPAC name of [(3R)-3-(4-anilino-6-pyridin-3-ylpyrimidin-2-yl)pyrrolidin-1-yl]-cyclopropylmethanone (CID 92575229) is [(3R)-3-(4-anilino-6-pyridin-3-ylpyrimidin-2-yl)pyrrolidin-1-yl]-cyclopropylmethanone.
What is the SMILES notation for [(3R)-3-(4-anilino-6-pyridin-3-ylpyrimidin-2-yl)pyrrolidin-1-yl]-cyclopropylmethanone?
The canonical SMILES for [(3R)-3-(4-anilino-6-pyridin-3-ylpyrimidin-2-yl)pyrrolidin-1-yl]-cyclopropylmethanone is O=C(C1CC1)N1CC[C@@H](c2nc(Nc3ccccc3)cc(-c3cccnc3)n2)C1.
What is the InChIKey of [(3R)-3-(4-anilino-6-pyridin-3-ylpyrimidin-2-yl)pyrrolidin-1-yl]-cyclopropylmethanone?
The InChIKey is HPOGZVNJXSMKFQ-GOSISDBHSA-N. The full InChI is InChI=1S/C23H23N5O/c29-23(16-8-9-16)28-12-10-18(15-28)22-26-20(17-5-4-11-24-14-17)13-21(27-22)25-19-6-2-1-3-7-19/h1-7,11,13-14,16,18H,8-10,12,15H2,(H,25,26,27)/t18-/m1/s1.
What are the key properties of [(3R)-3-(4-anilino-6-pyridin-3-ylpyrimidin-2-yl)pyrrolidin-1-yl]-cyclopropylmethanone?
[(3R)-3-(4-anilino-6-pyridin-3-ylpyrimidin-2-yl)pyrrolidin-1-yl]-cyclopropylmethanone has a molecular weight of 385.47 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(4-anilino-6-pyridin-3-ylpyrimidin-2-yl)pyrrolidin-1-yl]-cyclopropylmethanone is sourced from PubChem (CID 92575229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).