2-(2-fluoro-5-methylphenyl)-4-[5-[4-(1-propan-2-ylpiperidin-4-yl)phenyl]-3-pyridinyl]-1,8-naphthyridine

C34H33FN4 — CID 134188637

IUPAC2-(2-fluoro-5-methylphenyl)-4-[5-[4-(1-propan-2-ylpiperidin-4-yl)phenyl]-3-pyridinyl]-1,8-naphthyridine
SMILESCc1ccc(F)c(-c2cc(-c3cncc(-c4ccc(C5CCN(C(C)C)CC5)cc4)c3)c3cccnc3n2)c1
InChIInChI=1S/C34H33FN4/c1-22(2)39-15-12-26(13-16-39)24-7-9-25(10-8-24)27-18-28(21-36-20-27)30-19-33(31-17-23(3)6-11-32(31)35)38-34-29(30)5-4-14-37-34/h4-11,14,17-22,26H,12-13,15-16H2,1-3H3
InChIKeyGQUXZUNAIMVTKV-UHFFFAOYSA-N
MW516.66 g/mol
LogP8.06
Rot. Bonds5

About 2-(2-fluoro-5-methylphenyl)-4-[5-[4-(1-propan-2-ylpiperidin-4-yl)phenyl]-3-pyridinyl]-1,8-naphthyridine

2-(2-fluoro-5-methylphenyl)-4-[5-[4-(1-propan-2-ylpiperidin-4-yl)phenyl]-3-pyridinyl]-1,8-naphthyridine (PubChem CID 134188637) has the molecular formula C34H33FN4 and a molecular weight of 516.66 g/mol. Its IUPAC name is 2-(2-fluoro-5-methylphenyl)-4-[5-[4-(1-propan-2-ylpiperidin-4-yl)phenyl]-3-pyridinyl]-1,8-naphthyridine.

Molecular Properties

Compound Name2-(2-fluoro-5-methylphenyl)-4-[5-[4-(1-propan-2-ylpiperidin-4-yl)phenyl]-3-pyridinyl]-1,8-naphthyridine
PubChem CID134188637
Molecular FormulaC34H33FN4
Molecular Weight516.66 g/mol
Exact Mass516.27
IUPAC Name2-(2-fluoro-5-methylphenyl)-4-[5-[4-(1-propan-2-ylpiperidin-4-yl)phenyl]-3-pyridinyl]-1,8-naphthyridine
SMILESCc1ccc(F)c(-c2cc(-c3cncc(-c4ccc(C5CCN(C(C)C)CC5)cc4)c3)c3cccnc3n2)c1
InChIInChI=1S/C34H33FN4/c1-22(2)39-15-12-26(13-16-39)24-7-9-25(10-8-24)27-18-28(21-36-20-27)30-19-33(31-17-23(3)6-11-32(31)35)38-34-29(30)5-4-14-37-34/h4-11,14,17-22,26H,12-13,15-16H2,1-3H3
InChIKeyGQUXZUNAIMVTKV-UHFFFAOYSA-N
XLogP8.06
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.66
LogP ≤ 58.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(2-fluoro-5-methylphenyl)-4-[5-[4-(1-propan-2-ylpiperidin-4-yl)phenyl]-3-pyridinyl]-1,8-naphthyridine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-5-methylphenyl)-4-[5-[4-(1-propan-2-ylpiperidin-4-yl)phenyl]-3-pyridinyl]-1,8-naphthyridine?
The IUPAC name of 2-(2-fluoro-5-methylphenyl)-4-[5-[4-(1-propan-2-ylpiperidin-4-yl)phenyl]-3-pyridinyl]-1,8-naphthyridine (CID 134188637) is 2-(2-fluoro-5-methylphenyl)-4-[5-[4-(1-propan-2-ylpiperidin-4-yl)phenyl]-3-pyridinyl]-1,8-naphthyridine.
What is the SMILES notation for 2-(2-fluoro-5-methylphenyl)-4-[5-[4-(1-propan-2-ylpiperidin-4-yl)phenyl]-3-pyridinyl]-1,8-naphthyridine?
The canonical SMILES for 2-(2-fluoro-5-methylphenyl)-4-[5-[4-(1-propan-2-ylpiperidin-4-yl)phenyl]-3-pyridinyl]-1,8-naphthyridine is Cc1ccc(F)c(-c2cc(-c3cncc(-c4ccc(C5CCN(C(C)C)CC5)cc4)c3)c3cccnc3n2)c1.
What is the InChIKey of 2-(2-fluoro-5-methylphenyl)-4-[5-[4-(1-propan-2-ylpiperidin-4-yl)phenyl]-3-pyridinyl]-1,8-naphthyridine?
The InChIKey is GQUXZUNAIMVTKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H33FN4/c1-22(2)39-15-12-26(13-16-39)24-7-9-25(10-8-24)27-18-28(21-36-20-27)30-19-33(31-17-23(3)6-11-32(31)35)38-34-29(30)5-4-14-37-34/h4-11,14,17-22,26H,12-13,15-16H2,1-3H3.
What are the key properties of 2-(2-fluoro-5-methylphenyl)-4-[5-[4-(1-propan-2-ylpiperidin-4-yl)phenyl]-3-pyridinyl]-1,8-naphthyridine?
2-(2-fluoro-5-methylphenyl)-4-[5-[4-(1-propan-2-ylpiperidin-4-yl)phenyl]-3-pyridinyl]-1,8-naphthyridine has a molecular weight of 516.66 g/mol, XLogP of 8.06, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-5-methylphenyl)-4-[5-[4-(1-propan-2-ylpiperidin-4-yl)phenyl]-3-pyridinyl]-1,8-naphthyridine is sourced from PubChem (CID 134188637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).