1-(4-fluorophenyl)-2-[3-[1-methyl-5-(piperidin-1-ylmethyl)pyrazol-4-yl]-1,7-naphthyridin-6-yl]ethanone

C26H26FN5O — CID 159663612

IUPAC1-(4-fluorophenyl)-2-[3-[1-methyl-5-(piperidin-1-ylmethyl)pyrazol-4-yl]-1,7-naphthyridin-6-yl]ethanone
SMILESCn1ncc(-c2cnc3cnc(CC(=O)c4ccc(F)cc4)cc3c2)c1CN1CCCCC1
InChIInChI=1S/C26H26FN5O/c1-31-25(17-32-9-3-2-4-10-32)23(15-30-31)20-11-19-12-22(28-16-24(19)29-14-20)13-26(33)18-5-7-21(27)8-6-18/h5-8,11-12,14-16H,2-4,9-10,13,17H2,1H3
InChIKeyMTCWGBLETDWMRA-UHFFFAOYSA-N
MW443.53 g/mol
LogP4.58
Rot. Bonds6

About 1-(4-fluorophenyl)-2-[3-[1-methyl-5-(piperidin-1-ylmethyl)pyrazol-4-yl]-1,7-naphthyridin-6-yl]ethanone

1-(4-fluorophenyl)-2-[3-[1-methyl-5-(piperidin-1-ylmethyl)pyrazol-4-yl]-1,7-naphthyridin-6-yl]ethanone (PubChem CID 159663612) has the molecular formula C26H26FN5O and a molecular weight of 443.53 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-[3-[1-methyl-5-(piperidin-1-ylmethyl)pyrazol-4-yl]-1,7-naphthyridin-6-yl]ethanone.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-[3-[1-methyl-5-(piperidin-1-ylmethyl)pyrazol-4-yl]-1,7-naphthyridin-6-yl]ethanone
PubChem CID159663612
Molecular FormulaC26H26FN5O
Molecular Weight443.53 g/mol
Exact Mass443.21
IUPAC Name1-(4-fluorophenyl)-2-[3-[1-methyl-5-(piperidin-1-ylmethyl)pyrazol-4-yl]-1,7-naphthyridin-6-yl]ethanone
SMILESCn1ncc(-c2cnc3cnc(CC(=O)c4ccc(F)cc4)cc3c2)c1CN1CCCCC1
InChIInChI=1S/C26H26FN5O/c1-31-25(17-32-9-3-2-4-10-32)23(15-30-31)20-11-19-12-22(28-16-24(19)29-14-20)13-26(33)18-5-7-21(27)8-6-18/h5-8,11-12,14-16H,2-4,9-10,13,17H2,1H3
InChIKeyMTCWGBLETDWMRA-UHFFFAOYSA-N
XLogP4.58
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.53
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(4-fluorophenyl)-2-[3-[1-methyl-5-(piperidin-1-ylmethyl)pyrazol-4-yl]-1,7-naphthyridin-6-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridine-2-carboxamide
CID 118660644
8-[4-(1-Methylpyrazol-4-yl)phenyl]-1,6-naphthyridine-2-carboxamide
CID 118660845
1-Pyridin-4-yl-3-(2-quinolin-4-ylpyrazol-3-yl)pyridazin-4-one
CID 46873747
3-((3-(6-Methylpyridin-2-yl)-4-(quinolin-6-yl)-1H-pyrazol-1-yl)methyl)benzamide
CID 46907143
3-((3-(6-Methylpyridin-2-yl)-4-(1,5-naphthyridin-2-yl)-1H-pyrazol-1-yl)methyl)benzamide
CID 46907145
3-((4-(6-Methylpyridin-2-yl)-3-(quinolin-6-yl)-1H-pyrazol-1-yl)methyl)benzamide
CID 46907179
N-ethyl-N-[2-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-2-(triazol-2-yl)benzamide
CID 57389637
N-ethyl-5-fluoro-N-[2-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-2-(triazol-2-yl)benzamide
CID 57389884
(3,3-Difluoroazetidin-1-yl)-[8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]methanone
CID 118660717
azetidin-1-yl(8-(4-(1-methyl-1H-pyrazol-4-yl)phenyl)-1,6-naphthyridin-2-yl)methanone
CID 118660778
(8-(4-(1-methyl-1H-pyrazol-4-yl)phenyl)-1,6-naphthyridin-2-yl)(pyrrolidin-1-yl)methanone
CID 118660833
[8-[4-(1-Methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]-morpholin-4-ylmethanone
CID 118660850

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-[3-[1-methyl-5-(piperidin-1-ylmethyl)pyrazol-4-yl]-1,7-naphthyridin-6-yl]ethanone?
The IUPAC name of 1-(4-fluorophenyl)-2-[3-[1-methyl-5-(piperidin-1-ylmethyl)pyrazol-4-yl]-1,7-naphthyridin-6-yl]ethanone (CID 159663612) is 1-(4-fluorophenyl)-2-[3-[1-methyl-5-(piperidin-1-ylmethyl)pyrazol-4-yl]-1,7-naphthyridin-6-yl]ethanone.
What is the SMILES notation for 1-(4-fluorophenyl)-2-[3-[1-methyl-5-(piperidin-1-ylmethyl)pyrazol-4-yl]-1,7-naphthyridin-6-yl]ethanone?
The canonical SMILES for 1-(4-fluorophenyl)-2-[3-[1-methyl-5-(piperidin-1-ylmethyl)pyrazol-4-yl]-1,7-naphthyridin-6-yl]ethanone is Cn1ncc(-c2cnc3cnc(CC(=O)c4ccc(F)cc4)cc3c2)c1CN1CCCCC1.
What is the InChIKey of 1-(4-fluorophenyl)-2-[3-[1-methyl-5-(piperidin-1-ylmethyl)pyrazol-4-yl]-1,7-naphthyridin-6-yl]ethanone?
The InChIKey is MTCWGBLETDWMRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN5O/c1-31-25(17-32-9-3-2-4-10-32)23(15-30-31)20-11-19-12-22(28-16-24(19)29-14-20)13-26(33)18-5-7-21(27)8-6-18/h5-8,11-12,14-16H,2-4,9-10,13,17H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-2-[3-[1-methyl-5-(piperidin-1-ylmethyl)pyrazol-4-yl]-1,7-naphthyridin-6-yl]ethanone?
1-(4-fluorophenyl)-2-[3-[1-methyl-5-(piperidin-1-ylmethyl)pyrazol-4-yl]-1,7-naphthyridin-6-yl]ethanone has a molecular weight of 443.53 g/mol, XLogP of 4.58, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-[3-[1-methyl-5-(piperidin-1-ylmethyl)pyrazol-4-yl]-1,7-naphthyridin-6-yl]ethanone is sourced from PubChem (CID 159663612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).