4-[4-[[(1S,2S)-2-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-1,5-dimethylpyridin-2-one

C24H26N4O2 — CID 118434185

IUPAC4-[4-[[(1S,2S)-2-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-1,5-dimethylpyridin-2-one
SMILESCc1ncc(-c2cc(=O)n(C)cc2C)c(OC[C@H]2C[C@@H]2c2ccc3c(n2)CCC3)n1
InChIInChI=1S/C24H26N4O2/c1-14-12-28(3)23(29)10-18(14)20-11-25-15(2)26-24(20)30-13-17-9-19(17)22-8-7-16-5-4-6-21(16)27-22/h7-8,10-12,17,19H,4-6,9,13H2,1-3H3/t17-,19+/m1/s1
InChIKeyBTSVMVGCYOAAOM-MJGOQNOKSA-N
MW402.50 g/mol
LogP3.53
Rot. Bonds5

About 4-[4-[[(1S,2S)-2-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-1,5-dimethylpyridin-2-one

4-[4-[[(1S,2S)-2-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-1,5-dimethylpyridin-2-one (PubChem CID 118434185) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is 4-[4-[[(1S,2S)-2-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-1,5-dimethylpyridin-2-one.

Molecular Properties

Compound Name4-[4-[[(1S,2S)-2-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-1,5-dimethylpyridin-2-one
PubChem CID118434185
Molecular FormulaC24H26N4O2
Molecular Weight402.50 g/mol
Exact Mass402.21
IUPAC Name4-[4-[[(1S,2S)-2-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-1,5-dimethylpyridin-2-one
SMILESCc1ncc(-c2cc(=O)n(C)cc2C)c(OC[C@H]2C[C@@H]2c2ccc3c(n2)CCC3)n1
InChIInChI=1S/C24H26N4O2/c1-14-12-28(3)23(29)10-18(14)20-11-25-15(2)26-24(20)30-13-17-9-19(17)22-8-7-16-5-4-6-21(16)27-22/h7-8,10-12,17,19H,4-6,9,13H2,1-3H3/t17-,19+/m1/s1
InChIKeyBTSVMVGCYOAAOM-MJGOQNOKSA-N
XLogP3.53
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[[(1S,2S)-2-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-1,5-dimethylpyridin-2-one?
The IUPAC name of 4-[4-[[(1S,2S)-2-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-1,5-dimethylpyridin-2-one (CID 118434185) is 4-[4-[[(1S,2S)-2-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-1,5-dimethylpyridin-2-one.
What is the SMILES notation for 4-[4-[[(1S,2S)-2-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-1,5-dimethylpyridin-2-one?
The canonical SMILES for 4-[4-[[(1S,2S)-2-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-1,5-dimethylpyridin-2-one is Cc1ncc(-c2cc(=O)n(C)cc2C)c(OC[C@H]2C[C@@H]2c2ccc3c(n2)CCC3)n1.
What is the InChIKey of 4-[4-[[(1S,2S)-2-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-1,5-dimethylpyridin-2-one?
The InChIKey is BTSVMVGCYOAAOM-MJGOQNOKSA-N. The full InChI is InChI=1S/C24H26N4O2/c1-14-12-28(3)23(29)10-18(14)20-11-25-15(2)26-24(20)30-13-17-9-19(17)22-8-7-16-5-4-6-21(16)27-22/h7-8,10-12,17,19H,4-6,9,13H2,1-3H3/t17-,19+/m1/s1.
What are the key properties of 4-[4-[[(1S,2S)-2-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-1,5-dimethylpyridin-2-one?
4-[4-[[(1S,2S)-2-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-1,5-dimethylpyridin-2-one has a molecular weight of 402.50 g/mol, XLogP of 3.53, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[(1S,2S)-2-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-1,5-dimethylpyridin-2-one is sourced from PubChem (CID 118434185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).