2-(5-chloro-2-fluorophenyl)-4-[5-[4-(6-propan-2-ylpiperidin-3-yl)phenyl]-3-pyridinyl]-1,8-naphthyridine

C33H30ClFN4 — CID 71038257

IUPAC2-(5-chloro-2-fluorophenyl)-4-[5-[4-(6-propan-2-ylpiperidin-3-yl)phenyl]-3-pyridinyl]-1,8-naphthyridine
SMILESCC(C)C1CCC(c2ccc(-c3cncc(-c4cc(-c5cc(Cl)ccc5F)nc5ncccc45)c3)cc2)CN1
InChIInChI=1S/C33H30ClFN4/c1-20(2)31-12-9-23(19-38-31)21-5-7-22(8-6-21)24-14-25(18-36-17-24)28-16-32(29-15-26(34)10-11-30(29)35)39-33-27(28)4-3-13-37-33/h3-8,10-11,13-18,20,23,31,38H,9,12,19H2,1-2H3
InChIKeyMHZHHXJOMWRSML-UHFFFAOYSA-N
MW537.08 g/mol
LogP8.31
Rot. Bonds5

About 2-(5-chloro-2-fluorophenyl)-4-[5-[4-(6-propan-2-ylpiperidin-3-yl)phenyl]-3-pyridinyl]-1,8-naphthyridine

2-(5-chloro-2-fluorophenyl)-4-[5-[4-(6-propan-2-ylpiperidin-3-yl)phenyl]-3-pyridinyl]-1,8-naphthyridine (PubChem CID 71038257) has the molecular formula C33H30ClFN4 and a molecular weight of 537.08 g/mol. Its IUPAC name is 2-(5-chloro-2-fluorophenyl)-4-[5-[4-(6-propan-2-ylpiperidin-3-yl)phenyl]-3-pyridinyl]-1,8-naphthyridine.

Molecular Properties

Compound Name2-(5-chloro-2-fluorophenyl)-4-[5-[4-(6-propan-2-ylpiperidin-3-yl)phenyl]-3-pyridinyl]-1,8-naphthyridine
PubChem CID71038257
Molecular FormulaC33H30ClFN4
Molecular Weight537.08 g/mol
Exact Mass536.21
IUPAC Name2-(5-chloro-2-fluorophenyl)-4-[5-[4-(6-propan-2-ylpiperidin-3-yl)phenyl]-3-pyridinyl]-1,8-naphthyridine
SMILESCC(C)C1CCC(c2ccc(-c3cncc(-c4cc(-c5cc(Cl)ccc5F)nc5ncccc45)c3)cc2)CN1
InChIInChI=1S/C33H30ClFN4/c1-20(2)31-12-9-23(19-38-31)21-5-7-22(8-6-21)24-14-25(18-36-17-24)28-16-32(29-15-26(34)10-11-30(29)35)39-33-27(28)4-3-13-37-33/h3-8,10-11,13-18,20,23,31,38H,9,12,19H2,1-2H3
InChIKeyMHZHHXJOMWRSML-UHFFFAOYSA-N
XLogP8.31
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.08
LogP ≤ 58.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(5-chloro-2-fluorophenyl)-4-[5-[4-(6-propan-2-ylpiperidin-3-yl)phenyl]-3-pyridinyl]-1,8-naphthyridine with MolForge

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Related Compounds

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1-[3-(2-Cyclohexylaminopyridin-4-yl)[2,6]naphthyridin-1-yl]-piperidine-4-carboxylic Acid Piperidin-4-ylamide
CID 46900230
Cdk9-IN-2
CID 49855228
N-[(3-chlorophenyl)methyl]-2-pyridin-3-ylquinazolin-4-amine
CID 2465035
N-(6-{6H,7H,8H,9H-cyclohexa[b]1,8-naphthyridin-5-ylamino}hexyl)-6H,7H,8H,9H-cyclohexa[b]1,8-naphthyridin-5-amine
CID 23644778
N-(7-{6H,7H,8H,9H-cyclohexa[b]1,8-naphthyridin-5-ylamino}heptyl)-6H,7H,8H,9H-cyclohexa[b]1,8-naphthyridin-5-amine
CID 23644779
N-(8-{6H,7H,8H,9H-cyclohexa[b]1,8-naphthyridin-5-ylamino}octyl)-6H,7H,8H,9H-cyclohexa[b]1,8-naphthyridin-5-amine
CID 23644780
5-(3-Chloro-phenyl)-7-(4-dimethylamino-phenyl)-pyrido[2,3-d]pyrimidin-4-ylamine
CID 9842604
2-(3-chlorophenyl)-N-(pyridin-4-yl)quinazolin-4-amine
CID 9880709
6-(4-methylphenyl)-7-[4-[(E)-2-pyridin-2-ylethenyl]phenyl]pyrido[2,3-d]pyrimidin-4-amine
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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-fluorophenyl)-4-[5-[4-(6-propan-2-ylpiperidin-3-yl)phenyl]-3-pyridinyl]-1,8-naphthyridine?
The IUPAC name of 2-(5-chloro-2-fluorophenyl)-4-[5-[4-(6-propan-2-ylpiperidin-3-yl)phenyl]-3-pyridinyl]-1,8-naphthyridine (CID 71038257) is 2-(5-chloro-2-fluorophenyl)-4-[5-[4-(6-propan-2-ylpiperidin-3-yl)phenyl]-3-pyridinyl]-1,8-naphthyridine.
What is the SMILES notation for 2-(5-chloro-2-fluorophenyl)-4-[5-[4-(6-propan-2-ylpiperidin-3-yl)phenyl]-3-pyridinyl]-1,8-naphthyridine?
The canonical SMILES for 2-(5-chloro-2-fluorophenyl)-4-[5-[4-(6-propan-2-ylpiperidin-3-yl)phenyl]-3-pyridinyl]-1,8-naphthyridine is CC(C)C1CCC(c2ccc(-c3cncc(-c4cc(-c5cc(Cl)ccc5F)nc5ncccc45)c3)cc2)CN1.
What is the InChIKey of 2-(5-chloro-2-fluorophenyl)-4-[5-[4-(6-propan-2-ylpiperidin-3-yl)phenyl]-3-pyridinyl]-1,8-naphthyridine?
The InChIKey is MHZHHXJOMWRSML-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H30ClFN4/c1-20(2)31-12-9-23(19-38-31)21-5-7-22(8-6-21)24-14-25(18-36-17-24)28-16-32(29-15-26(34)10-11-30(29)35)39-33-27(28)4-3-13-37-33/h3-8,10-11,13-18,20,23,31,38H,9,12,19H2,1-2H3.
What are the key properties of 2-(5-chloro-2-fluorophenyl)-4-[5-[4-(6-propan-2-ylpiperidin-3-yl)phenyl]-3-pyridinyl]-1,8-naphthyridine?
2-(5-chloro-2-fluorophenyl)-4-[5-[4-(6-propan-2-ylpiperidin-3-yl)phenyl]-3-pyridinyl]-1,8-naphthyridine has a molecular weight of 537.08 g/mol, XLogP of 8.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-fluorophenyl)-4-[5-[4-(6-propan-2-ylpiperidin-3-yl)phenyl]-3-pyridinyl]-1,8-naphthyridine is sourced from PubChem (CID 71038257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).