7-[6-(4,4-difluoropiperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-3-methylpyrido[3,2-d]pyrimidin-4-one

C22H22F2N6O2 — CID 154994533

IUPAC7-[6-(4,4-difluoropiperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-3-methylpyrido[3,2-d]pyrimidin-4-one
SMILESCn1cnc2cc(N3CCCc4cc(C(=O)N5CCC(F)(F)CC5)cnc43)cnc2c1=O
InChIInChI=1S/C22H22F2N6O2/c1-28-13-27-17-10-16(12-25-18(17)21(28)32)30-6-2-3-14-9-15(11-26-19(14)30)20(31)29-7-4-22(23,24)5-8-29/h9-13H,2-8H2,1H3
InChIKeyMWQWTOIJPUPDTL-UHFFFAOYSA-N
MW440.45 g/mol
LogP2.68
Rot. Bonds2

About 7-[6-(4,4-difluoropiperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-3-methylpyrido[3,2-d]pyrimidin-4-one

7-[6-(4,4-difluoropiperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-3-methylpyrido[3,2-d]pyrimidin-4-one (PubChem CID 154994533) has the molecular formula C22H22F2N6O2 and a molecular weight of 440.45 g/mol. Its IUPAC name is 7-[6-(4,4-difluoropiperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-3-methylpyrido[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-[6-(4,4-difluoropiperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-3-methylpyrido[3,2-d]pyrimidin-4-one
PubChem CID154994533
Molecular FormulaC22H22F2N6O2
Molecular Weight440.45 g/mol
Exact Mass440.18
IUPAC Name7-[6-(4,4-difluoropiperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-3-methylpyrido[3,2-d]pyrimidin-4-one
SMILESCn1cnc2cc(N3CCCc4cc(C(=O)N5CCC(F)(F)CC5)cnc43)cnc2c1=O
InChIInChI=1S/C22H22F2N6O2/c1-28-13-27-17-10-16(12-25-18(17)21(28)32)30-6-2-3-14-9-15(11-26-19(14)30)20(31)29-7-4-22(23,24)5-8-29/h9-13H,2-8H2,1H3
InChIKeyMWQWTOIJPUPDTL-UHFFFAOYSA-N
XLogP2.68
TPSA84.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.45
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 7-[6-(4,4-difluoropiperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-3-methylpyrido[3,2-d]pyrimidin-4-one with MolForge

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Related Compounds

7-[6-(4,4-difluoropiperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-3-methylquinazolin-4-one
CID 167390374
5-[6-(4,4-difluoropiperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-2,3-dihydroisoindol-1-one
CID 154995043
7-[6-(4,4-difluoropiperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-2-(methoxymethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 167390386
6-methyl-3-[6-(piperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-5H-pyrrolo[3,4-b]pyridin-7-one
CID 167390377
7-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-3-methylpyrido[3,2-d]pyrimidin-4-one
CID 154667377
4-[6-(piperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]benzoic acid
CID 154994854
[8-(4-methoxyphenyl)-6,7-dihydro-5H-1,8-naphthyridin-3-yl]-piperidin-1-ylmethanone
CID 154994822
(4,4-difluoropiperidin-1-yl)-(5-fluoro-6-methyl-3-pyridinyl)methanone
CID 168987947
2-ethyl-5-[6-[4-fluoro-3-methyl-4-[(E)-prop-1-enyl]piperidine-1-carbonyl]-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-3H-isoindol-1-one
CID 166887164
(8-bromoquinolin-3-yl)-(4,4-difluoropiperidin-1-yl)methanone
CID 154667126
1-[4-[6-(4-fluoro-3,4-dimethylpiperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-2-imino-1-pyridinyl]-2-methylpropan-1-one
CID 166887179
4-[6-(piperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]benzenecarboximidamide
CID 166886356

Frequently Asked Questions

What is the IUPAC name of 7-[6-(4,4-difluoropiperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-3-methylpyrido[3,2-d]pyrimidin-4-one?
The IUPAC name of 7-[6-(4,4-difluoropiperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-3-methylpyrido[3,2-d]pyrimidin-4-one (CID 154994533) is 7-[6-(4,4-difluoropiperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-3-methylpyrido[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 7-[6-(4,4-difluoropiperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-3-methylpyrido[3,2-d]pyrimidin-4-one?
The canonical SMILES for 7-[6-(4,4-difluoropiperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-3-methylpyrido[3,2-d]pyrimidin-4-one is Cn1cnc2cc(N3CCCc4cc(C(=O)N5CCC(F)(F)CC5)cnc43)cnc2c1=O.
What is the InChIKey of 7-[6-(4,4-difluoropiperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-3-methylpyrido[3,2-d]pyrimidin-4-one?
The InChIKey is MWQWTOIJPUPDTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F2N6O2/c1-28-13-27-17-10-16(12-25-18(17)21(28)32)30-6-2-3-14-9-15(11-26-19(14)30)20(31)29-7-4-22(23,24)5-8-29/h9-13H,2-8H2,1H3.
What are the key properties of 7-[6-(4,4-difluoropiperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-3-methylpyrido[3,2-d]pyrimidin-4-one?
7-[6-(4,4-difluoropiperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-3-methylpyrido[3,2-d]pyrimidin-4-one has a molecular weight of 440.45 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[6-(4,4-difluoropiperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-3-methylpyrido[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 154994533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).