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

C33H22F2N8O — CID 44529357

IUPAC2,6-difluoro-N-[3-[3-[2-[4-(1H-pyrazol-5-yl)anilino]pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenyl]benzamide
SMILESO=C(Nc1cccc(-c2nn3ccccc3c2-c2ccnc(Nc3ccc(-c4ccn[nH]4)cc3)n2)c1)c1c(F)cccc1F
InChIInChI=1S/C33H22F2N8O/c34-24-7-4-8-25(35)29(24)32(44)38-23-6-3-5-21(19-23)31-30(28-9-1-2-18-43(28)42-31)27-14-16-36-33(40-27)39-22-12-10-20(11-13-22)26-15-17-37-41-26/h1-19H,(H,37,41)(H,38,44)(H,36,39,40)
InChIKeyRVGJRFNNEGMRJM-UHFFFAOYSA-N
MW584.59 g/mol
LogP7.12
Rot. Bonds7

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

2,6-difluoro-N-[3-[3-[2-[4-(1H-pyrazol-5-yl)anilino]pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenyl]benzamide (PubChem CID 44529357) has the molecular formula C33H22F2N8O and a molecular weight of 584.59 g/mol. Its IUPAC name is 2,6-difluoro-N-[3-[3-[2-[4-(1H-pyrazol-5-yl)anilino]pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenyl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[3-[3-[2-[4-(1H-pyrazol-5-yl)anilino]pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenyl]benzamide
PubChem CID44529357
Molecular FormulaC33H22F2N8O
Molecular Weight584.59 g/mol
Exact Mass584.19
IUPAC Name2,6-difluoro-N-[3-[3-[2-[4-(1H-pyrazol-5-yl)anilino]pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenyl]benzamide
SMILESO=C(Nc1cccc(-c2nn3ccccc3c2-c2ccnc(Nc3ccc(-c4ccn[nH]4)cc3)n2)c1)c1c(F)cccc1F
InChIInChI=1S/C33H22F2N8O/c34-24-7-4-8-25(35)29(24)32(44)38-23-6-3-5-21(19-23)31-30(28-9-1-2-18-43(28)42-31)27-14-16-36-33(40-27)39-22-12-10-20(11-13-22)26-15-17-37-41-26/h1-19H,(H,37,41)(H,38,44)(H,36,39,40)
InChIKeyRVGJRFNNEGMRJM-UHFFFAOYSA-N
XLogP7.12
TPSA112.89 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.59
LogP ≤ 57.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2,6-difluoro-N-[3-[3-[2-[4-(1H-pyrazol-5-yl)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

Related Compounds

3-[[(E)-4-(dimethylamino)but-2-enoyl]amino]-N-[4-[[4-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyrimidin-2-yl]amino]phenyl]benzamide
CID 57340689
3-[[4-(1H-indazol-4-ylamino)pyrimidin-2-yl]amino]benzamide
CID 24896610
2-(4-fluorophenyl)-1-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]piperazin-1-yl]ethanone
CID 53326206
US10513523, Example 190
CID 122656171
Benzamide, 3-[[4-[(5-methyl-1H-indazol-4-yl)amino]-2-pyrimidinyl]amino]-
CID 23657635
3-({4-[(6-methyl-1H-indazol-4-yl)amino]pyrimidin-2-yl}amino)benzamide
CID 25138045
3-({4-[(7-methyl-1H-indazol-4-yl)amino]pyrimidin-2-yl}amino)benzamide
CID 25138046
2-[4-[[4-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-6-[(3-methyl-1~{H}-pyrazol-5-yl)amino]pyrimidin-2-yl]amino]phenyl]-~{N}-(3-fluorophenyl)ethanamide
CID 162540425
CID 71451817
CID 71451817
4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[4-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)triazol-1-yl]benzamide
CID 71453638
N-[4-[[4-(dimethylamino)piperidin-1-yl]methyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-[4-(1H-pyrazolo[3,4-b]pyridin-5-yl)triazol-1-yl]benzamide
CID 71453675
4-fluoro-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[4-(1H-pyrazolo[3,4-b]pyridin-5-yl)triazol-1-yl]benzamide
CID 71453676

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[3-[3-[2-[4-(1H-pyrazol-5-yl)anilino]pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenyl]benzamide?
The IUPAC name of 2,6-difluoro-N-[3-[3-[2-[4-(1H-pyrazol-5-yl)anilino]pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenyl]benzamide (CID 44529357) is 2,6-difluoro-N-[3-[3-[2-[4-(1H-pyrazol-5-yl)anilino]pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenyl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-[3-[3-[2-[4-(1H-pyrazol-5-yl)anilino]pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenyl]benzamide?
The canonical SMILES for 2,6-difluoro-N-[3-[3-[2-[4-(1H-pyrazol-5-yl)anilino]pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenyl]benzamide is O=C(Nc1cccc(-c2nn3ccccc3c2-c2ccnc(Nc3ccc(-c4ccn[nH]4)cc3)n2)c1)c1c(F)cccc1F.
What is the InChIKey of 2,6-difluoro-N-[3-[3-[2-[4-(1H-pyrazol-5-yl)anilino]pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenyl]benzamide?
The InChIKey is RVGJRFNNEGMRJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H22F2N8O/c34-24-7-4-8-25(35)29(24)32(44)38-23-6-3-5-21(19-23)31-30(28-9-1-2-18-43(28)42-31)27-14-16-36-33(40-27)39-22-12-10-20(11-13-22)26-15-17-37-41-26/h1-19H,(H,37,41)(H,38,44)(H,36,39,40).
What are the key properties of 2,6-difluoro-N-[3-[3-[2-[4-(1H-pyrazol-5-yl)anilino]pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenyl]benzamide?
2,6-difluoro-N-[3-[3-[2-[4-(1H-pyrazol-5-yl)anilino]pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenyl]benzamide has a molecular weight of 584.59 g/mol, XLogP of 7.12, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[3-[3-[2-[4-(1H-pyrazol-5-yl)anilino]pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenyl]benzamide is sourced from PubChem (CID 44529357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).