3-(2-chlorophenyl)-6-[3-(2-methylimidazol-1-yl)propanoyl]-1-(pyridin-4-ylmethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one

C27H26ClN5O2 — CID 26222953

IUPAC3-(2-chlorophenyl)-6-[3-(2-methylimidazol-1-yl)propanoyl]-1-(pyridin-4-ylmethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one
SMILESCc1nccn1CCC(=O)N1CCc2c(cc(-c3ccccc3Cl)c(=O)n2Cc2ccncc2)C1
InChIInChI=1S/C27H26ClN5O2/c1-19-30-12-15-31(19)14-9-26(34)32-13-8-25-21(18-32)16-23(22-4-2-3-5-24(22)28)27(35)33(25)17-20-6-10-29-11-7-20/h2-7,10-12,15-16H,8-9,13-14,17-18H2,1H3
InChIKeyYUTAKQLZZRXMEU-UHFFFAOYSA-N
MW487.99 g/mol
LogP4.09
Rot. Bonds6

About 3-(2-chlorophenyl)-6-[3-(2-methylimidazol-1-yl)propanoyl]-1-(pyridin-4-ylmethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one

3-(2-chlorophenyl)-6-[3-(2-methylimidazol-1-yl)propanoyl]-1-(pyridin-4-ylmethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one (PubChem CID 26222953) has the molecular formula C27H26ClN5O2 and a molecular weight of 487.99 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-6-[3-(2-methylimidazol-1-yl)propanoyl]-1-(pyridin-4-ylmethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name3-(2-chlorophenyl)-6-[3-(2-methylimidazol-1-yl)propanoyl]-1-(pyridin-4-ylmethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one
PubChem CID26222953
Molecular FormulaC27H26ClN5O2
Molecular Weight487.99 g/mol
Exact Mass487.18
IUPAC Name3-(2-chlorophenyl)-6-[3-(2-methylimidazol-1-yl)propanoyl]-1-(pyridin-4-ylmethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one
SMILESCc1nccn1CCC(=O)N1CCc2c(cc(-c3ccccc3Cl)c(=O)n2Cc2ccncc2)C1
InChIInChI=1S/C27H26ClN5O2/c1-19-30-12-15-31(19)14-9-26(34)32-13-8-25-21(18-32)16-23(22-4-2-3-5-24(22)28)27(35)33(25)17-20-6-10-29-11-7-20/h2-7,10-12,15-16H,8-9,13-14,17-18H2,1H3
InChIKeyYUTAKQLZZRXMEU-UHFFFAOYSA-N
XLogP4.09
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.99
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-6-[3-(2-methylimidazol-1-yl)propanoyl]-1-(pyridin-4-ylmethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one?
The IUPAC name of 3-(2-chlorophenyl)-6-[3-(2-methylimidazol-1-yl)propanoyl]-1-(pyridin-4-ylmethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one (CID 26222953) is 3-(2-chlorophenyl)-6-[3-(2-methylimidazol-1-yl)propanoyl]-1-(pyridin-4-ylmethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one.
What is the SMILES notation for 3-(2-chlorophenyl)-6-[3-(2-methylimidazol-1-yl)propanoyl]-1-(pyridin-4-ylmethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one?
The canonical SMILES for 3-(2-chlorophenyl)-6-[3-(2-methylimidazol-1-yl)propanoyl]-1-(pyridin-4-ylmethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one is Cc1nccn1CCC(=O)N1CCc2c(cc(-c3ccccc3Cl)c(=O)n2Cc2ccncc2)C1.
What is the InChIKey of 3-(2-chlorophenyl)-6-[3-(2-methylimidazol-1-yl)propanoyl]-1-(pyridin-4-ylmethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one?
The InChIKey is YUTAKQLZZRXMEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26ClN5O2/c1-19-30-12-15-31(19)14-9-26(34)32-13-8-25-21(18-32)16-23(22-4-2-3-5-24(22)28)27(35)33(25)17-20-6-10-29-11-7-20/h2-7,10-12,15-16H,8-9,13-14,17-18H2,1H3.
What are the key properties of 3-(2-chlorophenyl)-6-[3-(2-methylimidazol-1-yl)propanoyl]-1-(pyridin-4-ylmethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one?
3-(2-chlorophenyl)-6-[3-(2-methylimidazol-1-yl)propanoyl]-1-(pyridin-4-ylmethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one has a molecular weight of 487.99 g/mol, XLogP of 4.09, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-6-[3-(2-methylimidazol-1-yl)propanoyl]-1-(pyridin-4-ylmethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one is sourced from PubChem (CID 26222953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).