N-[6-[[2-(2,5-difluorophenyl)-1,8-naphthyridin-4-yl]amino]pyrimidin-4-yl]-1-methylpiperidine-4-carboxamide

C25H23F2N7O — CID 53372715

IUPACN-[6-[[2-(2,5-difluorophenyl)-1,8-naphthyridin-4-yl]amino]pyrimidin-4-yl]-1-methylpiperidine-4-carboxamide
SMILESCN1CCC(C(=O)Nc2cc(Nc3cc(-c4cc(F)ccc4F)nc4ncccc34)ncn2)CC1
InChIInChI=1S/C25H23F2N7O/c1-34-9-6-15(7-10-34)25(35)33-23-13-22(29-14-30-23)31-20-12-21(18-11-16(26)4-5-19(18)27)32-24-17(20)3-2-8-28-24/h2-5,8,11-15H,6-7,9-10H2,1H3,(H2,28,29,30,31,32,33,35)
InChIKeyWJDKYEMRKDTCIE-UHFFFAOYSA-N
MW475.50 g/mol
LogP4.39
Rot. Bonds5

About N-[6-[[2-(2,5-difluorophenyl)-1,8-naphthyridin-4-yl]amino]pyrimidin-4-yl]-1-methylpiperidine-4-carboxamide

N-[6-[[2-(2,5-difluorophenyl)-1,8-naphthyridin-4-yl]amino]pyrimidin-4-yl]-1-methylpiperidine-4-carboxamide (PubChem CID 53372715) has the molecular formula C25H23F2N7O and a molecular weight of 475.50 g/mol. Its IUPAC name is N-[6-[[2-(2,5-difluorophenyl)-1,8-naphthyridin-4-yl]amino]pyrimidin-4-yl]-1-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[6-[[2-(2,5-difluorophenyl)-1,8-naphthyridin-4-yl]amino]pyrimidin-4-yl]-1-methylpiperidine-4-carboxamide
PubChem CID53372715
Molecular FormulaC25H23F2N7O
Molecular Weight475.50 g/mol
Exact Mass475.19
IUPAC NameN-[6-[[2-(2,5-difluorophenyl)-1,8-naphthyridin-4-yl]amino]pyrimidin-4-yl]-1-methylpiperidine-4-carboxamide
SMILESCN1CCC(C(=O)Nc2cc(Nc3cc(-c4cc(F)ccc4F)nc4ncccc34)ncn2)CC1
InChIInChI=1S/C25H23F2N7O/c1-34-9-6-15(7-10-34)25(35)33-23-13-22(29-14-30-23)31-20-12-21(18-11-16(26)4-5-19(18)27)32-24-17(20)3-2-8-28-24/h2-5,8,11-15H,6-7,9-10H2,1H3,(H2,28,29,30,31,32,33,35)
InChIKeyWJDKYEMRKDTCIE-UHFFFAOYSA-N
XLogP4.39
TPSA95.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.50
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[6-[[2-(2,5-difluorophenyl)-1,8-naphthyridin-4-yl]amino]pyrimidin-4-yl]-1-methylpiperidine-4-carboxamide 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 N-[6-[[2-(2,5-difluorophenyl)-1,8-naphthyridin-4-yl]amino]pyrimidin-4-yl]-1-methylpiperidine-4-carboxamide?
The IUPAC name of N-[6-[[2-(2,5-difluorophenyl)-1,8-naphthyridin-4-yl]amino]pyrimidin-4-yl]-1-methylpiperidine-4-carboxamide (CID 53372715) is N-[6-[[2-(2,5-difluorophenyl)-1,8-naphthyridin-4-yl]amino]pyrimidin-4-yl]-1-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-[6-[[2-(2,5-difluorophenyl)-1,8-naphthyridin-4-yl]amino]pyrimidin-4-yl]-1-methylpiperidine-4-carboxamide?
The canonical SMILES for N-[6-[[2-(2,5-difluorophenyl)-1,8-naphthyridin-4-yl]amino]pyrimidin-4-yl]-1-methylpiperidine-4-carboxamide is CN1CCC(C(=O)Nc2cc(Nc3cc(-c4cc(F)ccc4F)nc4ncccc34)ncn2)CC1.
What is the InChIKey of N-[6-[[2-(2,5-difluorophenyl)-1,8-naphthyridin-4-yl]amino]pyrimidin-4-yl]-1-methylpiperidine-4-carboxamide?
The InChIKey is WJDKYEMRKDTCIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F2N7O/c1-34-9-6-15(7-10-34)25(35)33-23-13-22(29-14-30-23)31-20-12-21(18-11-16(26)4-5-19(18)27)32-24-17(20)3-2-8-28-24/h2-5,8,11-15H,6-7,9-10H2,1H3,(H2,28,29,30,31,32,33,35).
What are the key properties of N-[6-[[2-(2,5-difluorophenyl)-1,8-naphthyridin-4-yl]amino]pyrimidin-4-yl]-1-methylpiperidine-4-carboxamide?
N-[6-[[2-(2,5-difluorophenyl)-1,8-naphthyridin-4-yl]amino]pyrimidin-4-yl]-1-methylpiperidine-4-carboxamide has a molecular weight of 475.50 g/mol, XLogP of 4.39, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[[2-(2,5-difluorophenyl)-1,8-naphthyridin-4-yl]amino]pyrimidin-4-yl]-1-methylpiperidine-4-carboxamide is sourced from PubChem (CID 53372715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).