3-[3-[3-[2-[3-[2-(dimethylamino)ethoxy]anilino]pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenyl]-2,6-difluorobenzamide

C34H29F2N7O2 — CID 69362917

IUPAC3-[3-[3-[2-[3-[2-(dimethylamino)ethoxy]anilino]pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenyl]-2,6-difluorobenzamide
SMILESCN(C)CCOc1cccc(Nc2nccc(-c3c(-c4cccc(-c5ccc(F)c(C(N)=O)c5F)c4)nn4ccccc34)n2)c1
InChIInChI=1S/C34H29F2N7O2/c1-42(2)17-18-45-24-10-6-9-23(20-24)39-34-38-15-14-27(40-34)30-28-11-3-4-16-43(28)41-32(30)22-8-5-7-21(19-22)25-12-13-26(35)29(31(25)36)33(37)44/h3-16,19-20H,17-18H2,1-2H3,(H2,37,44)(H,38,39,40)
InChIKeyJLUWLENLFCRPPC-UHFFFAOYSA-N
MW605.65 g/mol
LogP6.19
Rot. Bonds10

About 3-[3-[3-[2-[3-[2-(dimethylamino)ethoxy]anilino]pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenyl]-2,6-difluorobenzamide

3-[3-[3-[2-[3-[2-(dimethylamino)ethoxy]anilino]pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenyl]-2,6-difluorobenzamide (PubChem CID 69362917) has the molecular formula C34H29F2N7O2 and a molecular weight of 605.65 g/mol. Its IUPAC name is 3-[3-[3-[2-[3-[2-(dimethylamino)ethoxy]anilino]pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenyl]-2,6-difluorobenzamide.

Molecular Properties

Compound Name3-[3-[3-[2-[3-[2-(dimethylamino)ethoxy]anilino]pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenyl]-2,6-difluorobenzamide
PubChem CID69362917
Molecular FormulaC34H29F2N7O2
Molecular Weight605.65 g/mol
Exact Mass605.24
IUPAC Name3-[3-[3-[2-[3-[2-(dimethylamino)ethoxy]anilino]pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenyl]-2,6-difluorobenzamide
SMILESCN(C)CCOc1cccc(Nc2nccc(-c3c(-c4cccc(-c5ccc(F)c(C(N)=O)c5F)c4)nn4ccccc34)n2)c1
InChIInChI=1S/C34H29F2N7O2/c1-42(2)17-18-45-24-10-6-9-23(20-24)39-34-38-15-14-27(40-34)30-28-11-3-4-16-43(28)41-32(30)22-8-5-7-21(19-22)25-12-13-26(35)29(31(25)36)33(37)44/h3-16,19-20H,17-18H2,1-2H3,(H2,37,44)(H,38,39,40)
InChIKeyJLUWLENLFCRPPC-UHFFFAOYSA-N
XLogP6.19
TPSA110.67 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500605.65
LogP ≤ 56.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 3-[3-[3-[2-[3-[2-(dimethylamino)ethoxy]anilino]pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenyl]-2,6-difluorobenzamide 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-[3-[3-[2-[3-[2-(dimethylamino)ethoxy]anilino]pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenyl]-2,6-difluorobenzamide?
The IUPAC name of 3-[3-[3-[2-[3-[2-(dimethylamino)ethoxy]anilino]pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenyl]-2,6-difluorobenzamide (CID 69362917) is 3-[3-[3-[2-[3-[2-(dimethylamino)ethoxy]anilino]pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenyl]-2,6-difluorobenzamide.
What is the SMILES notation for 3-[3-[3-[2-[3-[2-(dimethylamino)ethoxy]anilino]pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenyl]-2,6-difluorobenzamide?
The canonical SMILES for 3-[3-[3-[2-[3-[2-(dimethylamino)ethoxy]anilino]pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenyl]-2,6-difluorobenzamide is CN(C)CCOc1cccc(Nc2nccc(-c3c(-c4cccc(-c5ccc(F)c(C(N)=O)c5F)c4)nn4ccccc34)n2)c1.
What is the InChIKey of 3-[3-[3-[2-[3-[2-(dimethylamino)ethoxy]anilino]pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenyl]-2,6-difluorobenzamide?
The InChIKey is JLUWLENLFCRPPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H29F2N7O2/c1-42(2)17-18-45-24-10-6-9-23(20-24)39-34-38-15-14-27(40-34)30-28-11-3-4-16-43(28)41-32(30)22-8-5-7-21(19-22)25-12-13-26(35)29(31(25)36)33(37)44/h3-16,19-20H,17-18H2,1-2H3,(H2,37,44)(H,38,39,40).
What are the key properties of 3-[3-[3-[2-[3-[2-(dimethylamino)ethoxy]anilino]pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenyl]-2,6-difluorobenzamide?
3-[3-[3-[2-[3-[2-(dimethylamino)ethoxy]anilino]pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenyl]-2,6-difluorobenzamide has a molecular weight of 605.65 g/mol, XLogP of 6.19, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[3-[2-[3-[2-(dimethylamino)ethoxy]anilino]pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenyl]-2,6-difluorobenzamide is sourced from PubChem (CID 69362917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).