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

C22H24F2N6O3 — CID 167390386

IUPAC7-[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
SMILESCOCn1nc2cc(N3CCCc4cc(C(=O)N5CCC(F)(F)CC5)cnc43)ccn2c1=O
InChIInChI=1S/C22H24F2N6O3/c1-33-14-30-21(32)29-8-4-17(12-18(29)26-30)28-7-2-3-15-11-16(13-25-19(15)28)20(31)27-9-5-22(23,24)6-10-27/h4,8,11-13H,2-3,5-7,9-10,14H2,1H3
InChIKeyRCKFBLQPIASDOE-UHFFFAOYSA-N
MW458.47 g/mol
LogP2.45
Rot. Bonds4

About 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

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 (PubChem CID 167390386) has the molecular formula C22H24F2N6O3 and a molecular weight of 458.47 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name7-[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
PubChem CID167390386
Molecular FormulaC22H24F2N6O3
Molecular Weight458.47 g/mol
Exact Mass458.19
IUPAC Name7-[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
SMILESCOCn1nc2cc(N3CCCc4cc(C(=O)N5CCC(F)(F)CC5)cnc43)ccn2c1=O
InChIInChI=1S/C22H24F2N6O3/c1-33-14-30-21(32)29-8-4-17(12-18(29)26-30)28-7-2-3-15-11-16(13-25-19(15)28)20(31)27-9-5-22(23,24)6-10-27/h4,8,11-13H,2-3,5-7,9-10,14H2,1H3
InChIKeyRCKFBLQPIASDOE-UHFFFAOYSA-N
XLogP2.45
TPSA84.97 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.47
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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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]-2-(methoxymethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COCn1nc2cc(N3CCCc4cc(C(=O)N5CCC(F)(F)CC5)cnc43)ccn2c1=O.
What is the InChIKey of 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?
The InChIKey is RCKFBLQPIASDOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F2N6O3/c1-33-14-30-21(32)29-8-4-17(12-18(29)26-30)28-7-2-3-15-11-16(13-25-19(15)28)20(31)27-9-5-22(23,24)6-10-27/h4,8,11-13H,2-3,5-7,9-10,14H2,1H3.
What are the key properties of 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?
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 has a molecular weight of 458.47 g/mol, XLogP of 2.45, 4 rotatable bonds, 0 hydrogen bond donors, and 8 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]-2-(methoxymethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 167390386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).