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

C27H27F2N5O2 — CID 160700547

IUPAC1-[4-(difluoromethoxy)phenyl]-2-[3-[1-methyl-5-(piperidin-1-ylmethyl)pyrazol-4-yl]-1,7-naphthyridin-6-yl]ethanone
SMILESCn1ncc(-c2cnc3cnc(CC(=O)c4ccc(OC(F)F)cc4)cc3c2)c1CN1CCCCC1
InChIInChI=1S/C27H27F2N5O2/c1-33-25(17-34-9-3-2-4-10-34)23(15-32-33)20-11-19-12-21(30-16-24(19)31-14-20)13-26(35)18-5-7-22(8-6-18)36-27(28)29/h5-8,11-12,14-16,27H,2-4,9-10,13,17H2,1H3
InChIKeyRQOFFYYIZUQTNN-UHFFFAOYSA-N
MW491.54 g/mol
LogP5.04
Rot. Bonds8

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

1-[4-(difluoromethoxy)phenyl]-2-[3-[1-methyl-5-(piperidin-1-ylmethyl)pyrazol-4-yl]-1,7-naphthyridin-6-yl]ethanone (PubChem CID 160700547) has the molecular formula C27H27F2N5O2 and a molecular weight of 491.54 g/mol. Its IUPAC name is 1-[4-(difluoromethoxy)phenyl]-2-[3-[1-methyl-5-(piperidin-1-ylmethyl)pyrazol-4-yl]-1,7-naphthyridin-6-yl]ethanone.

Molecular Properties

Compound Name1-[4-(difluoromethoxy)phenyl]-2-[3-[1-methyl-5-(piperidin-1-ylmethyl)pyrazol-4-yl]-1,7-naphthyridin-6-yl]ethanone
PubChem CID160700547
Molecular FormulaC27H27F2N5O2
Molecular Weight491.54 g/mol
Exact Mass491.21
IUPAC Name1-[4-(difluoromethoxy)phenyl]-2-[3-[1-methyl-5-(piperidin-1-ylmethyl)pyrazol-4-yl]-1,7-naphthyridin-6-yl]ethanone
SMILESCn1ncc(-c2cnc3cnc(CC(=O)c4ccc(OC(F)F)cc4)cc3c2)c1CN1CCCCC1
InChIInChI=1S/C27H27F2N5O2/c1-33-25(17-34-9-3-2-4-10-34)23(15-32-33)20-11-19-12-21(30-16-24(19)31-14-20)13-26(35)18-5-7-22(8-6-18)36-27(28)29/h5-8,11-12,14-16,27H,2-4,9-10,13,17H2,1H3
InChIKeyRQOFFYYIZUQTNN-UHFFFAOYSA-N
XLogP5.04
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.54
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[4-(difluoromethoxy)phenyl]-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-[4-[(3R,4S,5S)-3-amino-5-methyl-4-(triazol-1-yl)piperidin-1-yl]-3-pyridinyl]-6-(2,6-difluoro-4-methoxyphenyl)-5-fluoropyridine-2-carboxamide
CID 91937644
anti-TB agent 1
CID 138377595
(E)-3-(4-methoxyphenyl)-1-[5-methyl-1-[8-(trifluoromethyl)-4-quinolyl]triazol-4-yl]prop-2-en-1-one
CID 11590239
8-Fluoro-7-[(6-methoxy-3-pyridinyl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide
CID 89554849
8-Fluoro-7-[(2-methoxy-3-pyridinyl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide
CID 89554855
8-Fluoro-7-[(2-methoxy-6-methyl-4-pyridinyl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide
CID 89554870
7-[(6-Methoxy-3-pyridinyl)methyl]-4-(1-methyl-1H-pyrazol-4-yl)-2-quinolinecarboxamide
CID 89554921
N-(6-methyl-4-phenylpyridin-3-yl)-3-(1-methylpyrazol-3-yl)-4-(trifluoromethoxy)benzamide
CID 118393117
US11597728, Example 265
CID 148556826
US20230339900, Example 156
CID 162760989
6-Fluoro-3-(4-methoxybenzoyl)-4-(piperidin-1-YL)quinoline
CID 5640185
[4-(4-Ethylpiperazin-1-yl)quinolin-3-yl](4-methoxyphenyl)methanone
CID 6625000

Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethoxy)phenyl]-2-[3-[1-methyl-5-(piperidin-1-ylmethyl)pyrazol-4-yl]-1,7-naphthyridin-6-yl]ethanone?
The IUPAC name of 1-[4-(difluoromethoxy)phenyl]-2-[3-[1-methyl-5-(piperidin-1-ylmethyl)pyrazol-4-yl]-1,7-naphthyridin-6-yl]ethanone (CID 160700547) is 1-[4-(difluoromethoxy)phenyl]-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-(difluoromethoxy)phenyl]-2-[3-[1-methyl-5-(piperidin-1-ylmethyl)pyrazol-4-yl]-1,7-naphthyridin-6-yl]ethanone?
The canonical SMILES for 1-[4-(difluoromethoxy)phenyl]-2-[3-[1-methyl-5-(piperidin-1-ylmethyl)pyrazol-4-yl]-1,7-naphthyridin-6-yl]ethanone is Cn1ncc(-c2cnc3cnc(CC(=O)c4ccc(OC(F)F)cc4)cc3c2)c1CN1CCCCC1.
What is the InChIKey of 1-[4-(difluoromethoxy)phenyl]-2-[3-[1-methyl-5-(piperidin-1-ylmethyl)pyrazol-4-yl]-1,7-naphthyridin-6-yl]ethanone?
The InChIKey is RQOFFYYIZUQTNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27F2N5O2/c1-33-25(17-34-9-3-2-4-10-34)23(15-32-33)20-11-19-12-21(30-16-24(19)31-14-20)13-26(35)18-5-7-22(8-6-18)36-27(28)29/h5-8,11-12,14-16,27H,2-4,9-10,13,17H2,1H3.
What are the key properties of 1-[4-(difluoromethoxy)phenyl]-2-[3-[1-methyl-5-(piperidin-1-ylmethyl)pyrazol-4-yl]-1,7-naphthyridin-6-yl]ethanone?
1-[4-(difluoromethoxy)phenyl]-2-[3-[1-methyl-5-(piperidin-1-ylmethyl)pyrazol-4-yl]-1,7-naphthyridin-6-yl]ethanone has a molecular weight of 491.54 g/mol, XLogP of 5.04, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethoxy)phenyl]-2-[3-[1-methyl-5-(piperidin-1-ylmethyl)pyrazol-4-yl]-1,7-naphthyridin-6-yl]ethanone is sourced from PubChem (CID 160700547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).