7-(1-acetylpiperidin-3-yl)-3-methyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]-3,4-dihydro-1,8-naphthyridin-2-one

C23H31N5O2 — CID 134497292

IUPAC7-(1-acetylpiperidin-3-yl)-3-methyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]-3,4-dihydro-1,8-naphthyridin-2-one
SMILESCC(=O)N1CCCC(c2ccc3c(n2)N(Cc2c(C)nn(C)c2C)C(=O)C(C)C3)C1
InChIInChI=1S/C23H31N5O2/c1-14-11-18-8-9-21(19-7-6-10-27(12-19)17(4)29)24-22(18)28(23(14)30)13-20-15(2)25-26(5)16(20)3/h8-9,14,19H,6-7,10-13H2,1-5H3
InChIKeyBOIMCVRGASQTCF-UHFFFAOYSA-N
MW409.53 g/mol
LogP2.88
Rot. Bonds3

About 7-(1-acetylpiperidin-3-yl)-3-methyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]-3,4-dihydro-1,8-naphthyridin-2-one

7-(1-acetylpiperidin-3-yl)-3-methyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]-3,4-dihydro-1,8-naphthyridin-2-one (PubChem CID 134497292) has the molecular formula C23H31N5O2 and a molecular weight of 409.53 g/mol. Its IUPAC name is 7-(1-acetylpiperidin-3-yl)-3-methyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]-3,4-dihydro-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name7-(1-acetylpiperidin-3-yl)-3-methyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]-3,4-dihydro-1,8-naphthyridin-2-one
PubChem CID134497292
Molecular FormulaC23H31N5O2
Molecular Weight409.53 g/mol
Exact Mass409.25
IUPAC Name7-(1-acetylpiperidin-3-yl)-3-methyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]-3,4-dihydro-1,8-naphthyridin-2-one
SMILESCC(=O)N1CCCC(c2ccc3c(n2)N(Cc2c(C)nn(C)c2C)C(=O)C(C)C3)C1
InChIInChI=1S/C23H31N5O2/c1-14-11-18-8-9-21(19-7-6-10-27(12-19)17(4)29)24-22(18)28(23(14)30)13-20-15(2)25-26(5)16(20)3/h8-9,14,19H,6-7,10-13H2,1-5H3
InChIKeyBOIMCVRGASQTCF-UHFFFAOYSA-N
XLogP2.88
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-6-(1-acetylpyrrolidin-3-yl)-8-fluoro-2-methyl-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,4-benzoxazin-3-one
CID 134497272
1-[(3S)-3-[6-(methylamino)-2-pyridinyl]piperidin-1-yl]ethanone
CID 95841313
1-[(3S)-3-(1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 125027002
1-[3-[6-(2,3-dimethylimidazol-4-yl)-2-pyridinyl]piperidin-1-yl]ethanone
CID 110130884
5-(1-acetylpiperidin-3-yl)-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one
CID 71475565
1-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 129396875
3-[(3R)-1-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]piperidin-3-yl]benzoic acid
CID 97200814
(3R)-1-[(1,3,5-trimethylpyrazol-4-yl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 81120963
1-[3-[6-[(3-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]ethanone
CID 110254401
N-[[6-[1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-3-pyridinyl]methyl]acetamide
CID 110107855
(2S)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidine-2-carboxylic acid
CID 28844021
[3-(1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 110118587

Frequently Asked Questions

What is the IUPAC name of 7-(1-acetylpiperidin-3-yl)-3-methyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]-3,4-dihydro-1,8-naphthyridin-2-one?
The IUPAC name of 7-(1-acetylpiperidin-3-yl)-3-methyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]-3,4-dihydro-1,8-naphthyridin-2-one (CID 134497292) is 7-(1-acetylpiperidin-3-yl)-3-methyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]-3,4-dihydro-1,8-naphthyridin-2-one.
What is the SMILES notation for 7-(1-acetylpiperidin-3-yl)-3-methyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]-3,4-dihydro-1,8-naphthyridin-2-one?
The canonical SMILES for 7-(1-acetylpiperidin-3-yl)-3-methyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]-3,4-dihydro-1,8-naphthyridin-2-one is CC(=O)N1CCCC(c2ccc3c(n2)N(Cc2c(C)nn(C)c2C)C(=O)C(C)C3)C1.
What is the InChIKey of 7-(1-acetylpiperidin-3-yl)-3-methyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]-3,4-dihydro-1,8-naphthyridin-2-one?
The InChIKey is BOIMCVRGASQTCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5O2/c1-14-11-18-8-9-21(19-7-6-10-27(12-19)17(4)29)24-22(18)28(23(14)30)13-20-15(2)25-26(5)16(20)3/h8-9,14,19H,6-7,10-13H2,1-5H3.
What are the key properties of 7-(1-acetylpiperidin-3-yl)-3-methyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]-3,4-dihydro-1,8-naphthyridin-2-one?
7-(1-acetylpiperidin-3-yl)-3-methyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]-3,4-dihydro-1,8-naphthyridin-2-one has a molecular weight of 409.53 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-acetylpiperidin-3-yl)-3-methyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]-3,4-dihydro-1,8-naphthyridin-2-one is sourced from PubChem (CID 134497292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).