Skip to content

2,6-difluoro-N-[3-[6-fluoro-3-[2-[3-(piperidin-1-ylmethyl)anilino]pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenyl]benzamide

C36H30F3N7O — CID 143251321

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2,6-difluoro-N-[3-[6-fluoro-3-[2-[3-(piperidin-1-ylmethyl)anilino]pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenyl]benzamide
SMILESO=C(Nc1cccc(-c2nn3cc(F)ccc3c2-c2ccnc(Nc3cccc(CN4CCCCC4)c3)n2)c1)c1c(F)cccc1F
InChIInChI=1S/C36H30F3N7O/c37-25-13-14-31-33(30-15-16-40-36(43-30)42-26-9-4-7-23(19-26)21-45-17-2-1-3-18-45)34(44-46(31)22-25)24-8-5-10-27(20-24)41-35(47)32-28(38)11-6-12-29(32)39/h4-16,19-20,22H,1-3,17-18,21H2,(H,41,47)(H,40,42,43)
InChIKeyGKXSYNSBXATFRP-UHFFFAOYSA-N
MW633.68 g/mol
LogP7.86
Rot. Bonds8

About 2,6-difluoro-N-[3-[6-fluoro-3-[2-[3-(piperidin-1-ylmethyl)anilino]pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenyl]benzamide

2,6-difluoro-N-[3-[6-fluoro-3-[2-[3-(piperidin-1-ylmethyl)anilino]pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenyl]benzamide (PubChem CID 143251321) has the molecular formula C36H30F3N7O and a molecular weight of 633.68 g/mol. Its IUPAC name is 2,6-difluoro-N-[3-[6-fluoro-3-[2-[3-(piperidin-1-ylmethyl)anilino]pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenyl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[3-[6-fluoro-3-[2-[3-(piperidin-1-ylmethyl)anilino]pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenyl]benzamide
PubChem CID143251321
Molecular FormulaC36H30F3N7O
Molecular Weight633.68 g/mol
Exact Mass633.25
IUPAC Name2,6-difluoro-N-[3-[6-fluoro-3-[2-[3-(piperidin-1-ylmethyl)anilino]pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenyl]benzamide
SMILESO=C(Nc1cccc(-c2nn3cc(F)ccc3c2-c2ccnc(Nc3cccc(CN4CCCCC4)c3)n2)c1)c1c(F)cccc1F
InChIInChI=1S/C36H30F3N7O/c37-25-13-14-31-33(30-15-16-40-36(43-30)42-26-9-4-7-23(19-26)21-45-17-2-1-3-18-45)34(44-46(31)22-25)24-8-5-10-27(20-24)41-35(47)32-28(38)11-6-12-29(32)39/h4-16,19-20,22H,1-3,17-18,21H2,(H,41,47)(H,40,42,43)
InChIKeyGKXSYNSBXATFRP-UHFFFAOYSA-N
XLogP7.86
TPSA87.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500633.68
LogP ≤ 57.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2,6-difluoro-N-[3-[6-fluoro-3-[2-[3-(piperidin-1-ylmethyl)anilino]pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenyl]benzamide 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 2,6-difluoro-N-[3-[6-fluoro-3-[2-[3-(piperidin-1-ylmethyl)anilino]pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenyl]benzamide?
The IUPAC name of 2,6-difluoro-N-[3-[6-fluoro-3-[2-[3-(piperidin-1-ylmethyl)anilino]pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenyl]benzamide (CID 143251321) is 2,6-difluoro-N-[3-[6-fluoro-3-[2-[3-(piperidin-1-ylmethyl)anilino]pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenyl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-[3-[6-fluoro-3-[2-[3-(piperidin-1-ylmethyl)anilino]pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenyl]benzamide?
The canonical SMILES for 2,6-difluoro-N-[3-[6-fluoro-3-[2-[3-(piperidin-1-ylmethyl)anilino]pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenyl]benzamide is O=C(Nc1cccc(-c2nn3cc(F)ccc3c2-c2ccnc(Nc3cccc(CN4CCCCC4)c3)n2)c1)c1c(F)cccc1F.
What is the InChIKey of 2,6-difluoro-N-[3-[6-fluoro-3-[2-[3-(piperidin-1-ylmethyl)anilino]pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenyl]benzamide?
The InChIKey is GKXSYNSBXATFRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H30F3N7O/c37-25-13-14-31-33(30-15-16-40-36(43-30)42-26-9-4-7-23(19-26)21-45-17-2-1-3-18-45)34(44-46(31)22-25)24-8-5-10-27(20-24)41-35(47)32-28(38)11-6-12-29(32)39/h4-16,19-20,22H,1-3,17-18,21H2,(H,41,47)(H,40,42,43).
What are the key properties of 2,6-difluoro-N-[3-[6-fluoro-3-[2-[3-(piperidin-1-ylmethyl)anilino]pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenyl]benzamide?
2,6-difluoro-N-[3-[6-fluoro-3-[2-[3-(piperidin-1-ylmethyl)anilino]pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenyl]benzamide has a molecular weight of 633.68 g/mol, XLogP of 7.86, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[3-[6-fluoro-3-[2-[3-(piperidin-1-ylmethyl)anilino]pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenyl]benzamide is sourced from PubChem (CID 143251321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.