7-[6-[(3S)-3-(fluoromethyl)piperidine-1-carbonyl]-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-2-(methoxymethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one

C23H27FN6O3 — CID 167390465

IUPAC7-[6-[(3S)-3-(fluoromethyl)piperidine-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[C@H](CF)C5)cnc43)ccn2c1=O
InChIInChI=1S/C23H27FN6O3/c1-33-15-30-23(32)29-9-6-19(11-20(29)26-30)28-8-3-5-17-10-18(13-25-21(17)28)22(31)27-7-2-4-16(12-24)14-27/h6,9-11,13,16H,2-5,7-8,12,14-15H2,1H3/t16-/m1/s1
InChIKeyXXQFEOXQNLCZDW-MRXNPFEDSA-N
MW454.51 g/mol
LogP2.40
Rot. Bonds5

About 7-[6-[(3S)-3-(fluoromethyl)piperidine-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-[(3S)-3-(fluoromethyl)piperidine-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 167390465) has the molecular formula C23H27FN6O3 and a molecular weight of 454.51 g/mol. Its IUPAC name is 7-[6-[(3S)-3-(fluoromethyl)piperidine-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-[(3S)-3-(fluoromethyl)piperidine-1-carbonyl]-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-2-(methoxymethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID167390465
Molecular FormulaC23H27FN6O3
Molecular Weight454.51 g/mol
Exact Mass454.21
IUPAC Name7-[6-[(3S)-3-(fluoromethyl)piperidine-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[C@H](CF)C5)cnc43)ccn2c1=O
InChIInChI=1S/C23H27FN6O3/c1-33-15-30-23(32)29-9-6-19(11-20(29)26-30)28-8-3-5-17-10-18(13-25-21(17)28)22(31)27-7-2-4-16(12-24)14-27/h6,9-11,13,16H,2-5,7-8,12,14-15H2,1H3/t16-/m1/s1
InChIKeyXXQFEOXQNLCZDW-MRXNPFEDSA-N
XLogP2.40
TPSA84.97 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.51
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 7-[6-[(3S)-3-(fluoromethyl)piperidine-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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Related Compounds

2-(ethylaminomethyl)-4-[6-[(3R)-3-(fluoromethyl)piperidine-1-carbonyl]-3,4-dihydro-2H-1,8-naphthyridin-1-yl]benzaldehyde
CID 167390455
7-[8-[(3R)-3-fluoropiperidine-1-carbonyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazepin-5-yl]-2-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 167390382
5-[6-[(3S)-3-(difluoromethyl)piperidine-1-carbonyl]-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-2-ethyl-3H-isoindol-1-one
CID 154994586
tert-butyl N-methyl-N-[1-[4-(2-methyl-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-7-yl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-7-carbonyl]piperidin-3-yl]carbamate
CID 154642537
4-(2-ethyl-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-7-yl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-7-carboxylic acid
CID 166887319
2-ethyl-7-[7-(4-methyl-3-oxopiperazine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 154994898
2-(2-ethoxyethyl)-5-[6-(piperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-2,3-dihydroinden-1-one
CID 166887007
4-[6-(piperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]benzenecarboximidamide
CID 166886356
2-[2-(oxetan-3-yl)ethyl]-5-[6-(piperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-2,3-dihydroinden-1-one
CID 166887023
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
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
[3-(methoxymethyl)piperidin-1-yl]-(1,2,3,4-tetrahydroquinolin-6-yl)methanone
CID 106586843

Frequently Asked Questions

What is the IUPAC name of 7-[6-[(3S)-3-(fluoromethyl)piperidine-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-[(3S)-3-(fluoromethyl)piperidine-1-carbonyl]-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-2-(methoxymethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 167390465) is 7-[6-[(3S)-3-(fluoromethyl)piperidine-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-[(3S)-3-(fluoromethyl)piperidine-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-[(3S)-3-(fluoromethyl)piperidine-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[C@H](CF)C5)cnc43)ccn2c1=O.
What is the InChIKey of 7-[6-[(3S)-3-(fluoromethyl)piperidine-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 XXQFEOXQNLCZDW-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H27FN6O3/c1-33-15-30-23(32)29-9-6-19(11-20(29)26-30)28-8-3-5-17-10-18(13-25-21(17)28)22(31)27-7-2-4-16(12-24)14-27/h6,9-11,13,16H,2-5,7-8,12,14-15H2,1H3/t16-/m1/s1.
What are the key properties of 7-[6-[(3S)-3-(fluoromethyl)piperidine-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-[(3S)-3-(fluoromethyl)piperidine-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 454.51 g/mol, XLogP of 2.40, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[6-[(3S)-3-(fluoromethyl)piperidine-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 167390465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).