3-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]-N,N-dimethylpropan-1-amine

C27H24ClFN6 — CID 53345070

IUPAC3-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCn1cc(-c2cncc(-c3cc(-c4cc(Cl)ccc4F)nc4ncccc34)c2)cn1
InChIInChI=1S/C27H24ClFN6/c1-34(2)9-4-10-35-17-20(16-32-35)18-11-19(15-30-14-18)23-13-26(24-12-21(28)6-7-25(24)29)33-27-22(23)5-3-8-31-27/h3,5-8,11-17H,4,9-10H2,1-2H3
InChIKeyPUJLDFILRDMPNK-UHFFFAOYSA-N
MW486.98 g/mol
LogP5.97
Rot. Bonds7

About 3-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]-N,N-dimethylpropan-1-amine

3-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]-N,N-dimethylpropan-1-amine (PubChem CID 53345070) has the molecular formula C27H24ClFN6 and a molecular weight of 486.98 g/mol. Its IUPAC name is 3-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]-N,N-dimethylpropan-1-amine
PubChem CID53345070
Molecular FormulaC27H24ClFN6
Molecular Weight486.98 g/mol
Exact Mass486.17
IUPAC Name3-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCn1cc(-c2cncc(-c3cc(-c4cc(Cl)ccc4F)nc4ncccc34)c2)cn1
InChIInChI=1S/C27H24ClFN6/c1-34(2)9-4-10-35-17-20(16-32-35)18-11-19(15-30-14-18)23-13-26(24-12-21(28)6-7-25(24)29)33-27-22(23)5-3-8-31-27/h3,5-8,11-17H,4,9-10H2,1-2H3
InChIKeyPUJLDFILRDMPNK-UHFFFAOYSA-N
XLogP5.97
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.98
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]-N,N-dimethylpropan-1-amine 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 3-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]-N,N-dimethylpropan-1-amine (CID 53345070) is 3-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]-N,N-dimethylpropan-1-amine is CN(C)CCCn1cc(-c2cncc(-c3cc(-c4cc(Cl)ccc4F)nc4ncccc34)c2)cn1.
What is the InChIKey of 3-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]-N,N-dimethylpropan-1-amine?
The InChIKey is PUJLDFILRDMPNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24ClFN6/c1-34(2)9-4-10-35-17-20(16-32-35)18-11-19(15-30-14-18)23-13-26(24-12-21(28)6-7-25(24)29)33-27-22(23)5-3-8-31-27/h3,5-8,11-17H,4,9-10H2,1-2H3.
What are the key properties of 3-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]-N,N-dimethylpropan-1-amine?
3-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]-N,N-dimethylpropan-1-amine has a molecular weight of 486.98 g/mol, XLogP of 5.97, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 53345070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).