1-[2-(2-methoxyphenyl)-4-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]phenyl]pyridin-2-one

C28H27N5O3 — CID 176815279

IUPAC1-[2-(2-methoxyphenyl)-4-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]phenyl]pyridin-2-one
SMILESCOc1ccccc1-c1cc(C2=CCCN(C(=O)CCn3ccnn3)C2)ccc1-n1ccccc1=O
InChIInChI=1S/C28H27N5O3/c1-36-26-9-3-2-8-23(26)24-19-21(11-12-25(24)33-16-5-4-10-28(33)35)22-7-6-15-31(20-22)27(34)13-17-32-18-14-29-30-32/h2-5,7-12,14,16,18-19H,6,13,15,17,20H2,1H3
InChIKeyAEIPLKDXJMNSDE-UHFFFAOYSA-N
MW481.56 g/mol
LogP3.81
Rot. Bonds7

About 1-[2-(2-methoxyphenyl)-4-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]phenyl]pyridin-2-one

1-[2-(2-methoxyphenyl)-4-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]phenyl]pyridin-2-one (PubChem CID 176815279) has the molecular formula C28H27N5O3 and a molecular weight of 481.56 g/mol. Its IUPAC name is 1-[2-(2-methoxyphenyl)-4-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]phenyl]pyridin-2-one.

Molecular Properties

Compound Name1-[2-(2-methoxyphenyl)-4-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]phenyl]pyridin-2-one
PubChem CID176815279
Molecular FormulaC28H27N5O3
Molecular Weight481.56 g/mol
Exact Mass481.21
IUPAC Name1-[2-(2-methoxyphenyl)-4-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]phenyl]pyridin-2-one
SMILESCOc1ccccc1-c1cc(C2=CCCN(C(=O)CCn3ccnn3)C2)ccc1-n1ccccc1=O
InChIInChI=1S/C28H27N5O3/c1-36-26-9-3-2-8-23(26)24-19-21(11-12-25(24)33-16-5-4-10-28(33)35)22-7-6-15-31(20-22)27(34)13-17-32-18-14-29-30-32/h2-5,7-12,14,16,18-19H,6,13,15,17,20H2,1H3
InChIKeyAEIPLKDXJMNSDE-UHFFFAOYSA-N
XLogP3.81
TPSA82.25 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.56
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

8-(2-methoxyphenyl)-N,N-dimethyl-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]naphthalene-2-carboxamide
CID 176815285
6-[4-[7-fluoro-4-(2-methoxyphenyl)-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carbonyl]piperazin-1-yl]-1-methylpyridin-2-one
CID 177172217
1-[5-[2-(4-tert-butylpiperazine-1-carbonyl)-7-fluoro-4-(2-methoxyphenyl)-1H-indol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-3-(triazol-1-yl)propan-1-one
CID 177169963
6-[7-fluoro-4-(2-methoxyphenyl)-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carbonyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 177172004
1-[5-[2-(7-amino-3,4-dihydro-1H-isoquinoline-2-carbonyl)-7-fluoro-4-(2-methoxyphenyl)-1H-indol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-3-(triazol-1-yl)propan-1-one
CID 177170044
1-[5-[7-fluoro-4-(2-methoxyphenyl)-2-methyl-1H-indol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-3-(triazol-1-yl)propan-1-one;methyl 1-formamidocyclopropane-1-carboxylate
CID 177172200
1-[5-[7-fluoro-2-[4-[(2S)-2-hydroxybutyl]piperazine-1-carbonyl]-4-(2-methoxyphenyl)-1H-indol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-3-(triazol-1-yl)propan-1-one
CID 177170863
2-hydroxy-N,N-dimethyl-4-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]benzamide
CID 176815292
1-[5-[2-[4-(ethylamino)piperidine-1-carbonyl]-7-fluoro-4-(2-methoxyphenyl)-1H-indol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-3-(triazol-1-yl)propan-1-one
CID 177171860
1-[5-[2-(2-azabicyclo[3.1.0]hexane-2-carbonyl)-7-fluoro-4-(2-methoxyphenyl)-1H-indol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-3-(triazol-1-yl)propan-1-one
CID 177171308
3-[4-[7-fluoro-4-(2-methoxyphenyl)-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carbonyl]piperazin-1-yl]-1H-quinolin-2-one
CID 177170793
(3R)-1-[7-fluoro-4-(2-methoxyphenyl)-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carbonyl]pyrrolidine-3-carboxamide
CID 177172192

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyphenyl)-4-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]phenyl]pyridin-2-one?
The IUPAC name of 1-[2-(2-methoxyphenyl)-4-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]phenyl]pyridin-2-one (CID 176815279) is 1-[2-(2-methoxyphenyl)-4-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]phenyl]pyridin-2-one.
What is the SMILES notation for 1-[2-(2-methoxyphenyl)-4-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]phenyl]pyridin-2-one?
The canonical SMILES for 1-[2-(2-methoxyphenyl)-4-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]phenyl]pyridin-2-one is COc1ccccc1-c1cc(C2=CCCN(C(=O)CCn3ccnn3)C2)ccc1-n1ccccc1=O.
What is the InChIKey of 1-[2-(2-methoxyphenyl)-4-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]phenyl]pyridin-2-one?
The InChIKey is AEIPLKDXJMNSDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N5O3/c1-36-26-9-3-2-8-23(26)24-19-21(11-12-25(24)33-16-5-4-10-28(33)35)22-7-6-15-31(20-22)27(34)13-17-32-18-14-29-30-32/h2-5,7-12,14,16,18-19H,6,13,15,17,20H2,1H3.
What are the key properties of 1-[2-(2-methoxyphenyl)-4-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]phenyl]pyridin-2-one?
1-[2-(2-methoxyphenyl)-4-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]phenyl]pyridin-2-one has a molecular weight of 481.56 g/mol, XLogP of 3.81, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyphenyl)-4-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]phenyl]pyridin-2-one is sourced from PubChem (CID 176815279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).