5-[2-methyl-4-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidin-5-yl]-1-phenylpyridin-2-one

C26H24N4O2 — CID 90182643

IUPAC5-[2-methyl-4-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidin-5-yl]-1-phenylpyridin-2-one
SMILESCc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2-c2ccc(=O)n(-c3ccccc3)c2)nc1
InChIInChI=1S/C26H24N4O2/c1-17-8-10-24(28-13-17)22-12-20(22)16-32-26-23(14-27-18(2)29-26)19-9-11-25(31)30(15-19)21-6-4-3-5-7-21/h3-11,13-15,20,22H,12,16H2,1-2H3/t20-,22+/m1/s1
InChIKeyZESRGCISGRSKHQ-IRLDBZIGSA-N
MW424.50 g/mol
LogP4.49
Rot. Bonds6

About 5-[2-methyl-4-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidin-5-yl]-1-phenylpyridin-2-one

5-[2-methyl-4-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidin-5-yl]-1-phenylpyridin-2-one (PubChem CID 90182643) has the molecular formula C26H24N4O2 and a molecular weight of 424.50 g/mol. Its IUPAC name is 5-[2-methyl-4-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidin-5-yl]-1-phenylpyridin-2-one.

Molecular Properties

Compound Name5-[2-methyl-4-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidin-5-yl]-1-phenylpyridin-2-one
PubChem CID90182643
Molecular FormulaC26H24N4O2
Molecular Weight424.50 g/mol
Exact Mass424.19
IUPAC Name5-[2-methyl-4-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidin-5-yl]-1-phenylpyridin-2-one
SMILESCc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2-c2ccc(=O)n(-c3ccccc3)c2)nc1
InChIInChI=1S/C26H24N4O2/c1-17-8-10-24(28-13-17)22-12-20(22)16-32-26-23(14-27-18(2)29-26)19-9-11-25(31)30(15-19)21-6-4-3-5-7-21/h3-11,13-15,20,22H,12,16H2,1-2H3/t20-,22+/m1/s1
InChIKeyZESRGCISGRSKHQ-IRLDBZIGSA-N
XLogP4.49
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(2-methoxyethoxy)-N-phenyl-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 49822075
4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-5-(6-methyl-3-pyridinyl)pyrimidine
CID 71085908
4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-5-[(E)-2-pyridin-3-ylethenyl]pyrimidine
CID 71488707
3-methoxy-1-methyl-5-[2-methyl-4-[[(1S,2S)-2-quinolin-2-ylcyclopropyl]methoxy]pyrimidin-5-yl]pyridin-2-one
CID 74221591
5-[4-[[(1S,2S)-2-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-1,6-dimethylpyridin-2-one
CID 76072966
1,6-dimethyl-5-[2-methyl-4-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidin-5-yl]-2-oxopyridine-3-carbonitrile
CID 76072968
3-ethyl-1-methyl-5-[2-methyl-4-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidin-5-yl]pyridin-2-one
CID 76072969
5-[4-[[(1S,2S)-2-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-3-methoxy-1-methylpyridin-2-one
CID 76072970
1-cyclopropyl-4-[2-methyl-4-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidin-5-yl]pyridin-2-one
CID 76073008
methyl 2-(4-(4-(((1S,2S)-2-(5-methoxypyridin-2-yl)cyclopropyl)methoxy)-2-methylpyrimidin-5-yl)-2-oxopyridin-1(2H)-yl)acetate
CID 76073011
4-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-1-prop-2-enylpyridin-2-one
CID 76073012
4-[4-[[(1S,2S)-2-(5-methoxypyridin-2-yl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-1-(2,2,2-trifluoroethyl)pyridin-2-one
CID 76073013

Frequently Asked Questions

What is the IUPAC name of 5-[2-methyl-4-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidin-5-yl]-1-phenylpyridin-2-one?
The IUPAC name of 5-[2-methyl-4-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidin-5-yl]-1-phenylpyridin-2-one (CID 90182643) is 5-[2-methyl-4-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidin-5-yl]-1-phenylpyridin-2-one.
What is the SMILES notation for 5-[2-methyl-4-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidin-5-yl]-1-phenylpyridin-2-one?
The canonical SMILES for 5-[2-methyl-4-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidin-5-yl]-1-phenylpyridin-2-one is Cc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2-c2ccc(=O)n(-c3ccccc3)c2)nc1.
What is the InChIKey of 5-[2-methyl-4-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidin-5-yl]-1-phenylpyridin-2-one?
The InChIKey is ZESRGCISGRSKHQ-IRLDBZIGSA-N. The full InChI is InChI=1S/C26H24N4O2/c1-17-8-10-24(28-13-17)22-12-20(22)16-32-26-23(14-27-18(2)29-26)19-9-11-25(31)30(15-19)21-6-4-3-5-7-21/h3-11,13-15,20,22H,12,16H2,1-2H3/t20-,22+/m1/s1.
What are the key properties of 5-[2-methyl-4-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidin-5-yl]-1-phenylpyridin-2-one?
5-[2-methyl-4-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidin-5-yl]-1-phenylpyridin-2-one has a molecular weight of 424.50 g/mol, XLogP of 4.49, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-methyl-4-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidin-5-yl]-1-phenylpyridin-2-one is sourced from PubChem (CID 90182643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).