N-[3-[3-[4-[3-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-5-methylphenyl]-2-phenylacetamide

C38H34FN7O2 — CID 145247327

IUPACN-[3-[3-[4-[3-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-5-methylphenyl]-2-phenylacetamide
SMILESCc1cc(NC(=O)Cc2ccccc2)cc(-c2cnc3n[nH]c(-c4cc5c(-c6cc(F)cc(OCCN(C)C)c6)cncc5[nH]4)c3c2)c1
InChIInChI=1S/C38H34FN7O2/c1-23-11-25(15-29(12-23)42-36(47)13-24-7-5-4-6-8-24)27-17-32-37(44-45-38(32)41-20-27)34-19-31-33(21-40-22-35(31)43-34)26-14-28(39)18-30(16-26)48-10-9-46(2)3/h4-8,11-12,14-22,43H,9-10,13H2,1-3H3,(H,42,47)(H,41,44,45)
InChIKeySSXBFHIPJMCNKW-UHFFFAOYSA-N
MW639.74 g/mol
LogP7.40
Rot. Bonds10

About N-[3-[3-[4-[3-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-5-methylphenyl]-2-phenylacetamide

N-[3-[3-[4-[3-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-5-methylphenyl]-2-phenylacetamide (PubChem CID 145247327) has the molecular formula C38H34FN7O2 and a molecular weight of 639.74 g/mol. Its IUPAC name is N-[3-[3-[4-[3-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-5-methylphenyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[3-[3-[4-[3-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-5-methylphenyl]-2-phenylacetamide
PubChem CID145247327
Molecular FormulaC38H34FN7O2
Molecular Weight639.74 g/mol
Exact Mass639.28
IUPAC NameN-[3-[3-[4-[3-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-5-methylphenyl]-2-phenylacetamide
SMILESCc1cc(NC(=O)Cc2ccccc2)cc(-c2cnc3n[nH]c(-c4cc5c(-c6cc(F)cc(OCCN(C)C)c6)cncc5[nH]4)c3c2)c1
InChIInChI=1S/C38H34FN7O2/c1-23-11-25(15-29(12-23)42-36(47)13-24-7-5-4-6-8-24)27-17-32-37(44-45-38(32)41-20-27)34-19-31-33(21-40-22-35(31)43-34)26-14-28(39)18-30(16-26)48-10-9-46(2)3/h4-8,11-12,14-22,43H,9-10,13H2,1-3H3,(H,42,47)(H,41,44,45)
InChIKeySSXBFHIPJMCNKW-UHFFFAOYSA-N
XLogP7.40
TPSA111.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500639.74
LogP ≤ 57.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[3-[3-[4-[3-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-5-methylphenyl]-2-phenylacetamide 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

2-[3-fluoro-5-[2-(5-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-pyrrolo[2,3-c]pyridin-4-yl]phenoxy]-N,N-dimethylethanamine
CID 137039833
1-[[5-[3-[4-[3-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]amino]-2-methylpropan-1-ol
CID 137281313
N-[5-[3-[4-[3-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]butanamide
CID 137041501
2-[3-[2-[5-[5-[(dimethylamino)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-pyrrolo[2,3-c]pyridin-4-yl]-5-fluorophenoxy]-N,N-dimethylethanamine
CID 137040458
2-[3-[2-[5-[5-[(dimethylamino)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-indol-4-yl]-5-fluorophenoxy]-N,N-dimethylethanamine
CID 137040730
N-[5-[3-[4-(3-fluoro-5-methylphenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide
CID 137284122
2-[3-[2-[5-[5-[(benzylamino)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]-5-fluorophenoxy]-N,N-dimethylethanamine
CID 137145258
N-[5-[3-[4-(furan-3-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-2-phenylacetamide
CID 137040784
5-[3-[4-[3-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-N,N-dimethylpyridin-3-amine
CID 138604422
N-[5-[3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]pentanamide
CID 137312087
N-[5-[3-[7-(3-fluoro-5-methylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-2-phenylacetamide
CID 137057191
5-[3-[4-[3-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-N-propan-2-ylpyridin-3-amine
CID 138604115

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-[4-[3-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-5-methylphenyl]-2-phenylacetamide?
The IUPAC name of N-[3-[3-[4-[3-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-5-methylphenyl]-2-phenylacetamide (CID 145247327) is N-[3-[3-[4-[3-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-5-methylphenyl]-2-phenylacetamide.
What is the SMILES notation for N-[3-[3-[4-[3-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-5-methylphenyl]-2-phenylacetamide?
The canonical SMILES for N-[3-[3-[4-[3-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-5-methylphenyl]-2-phenylacetamide is Cc1cc(NC(=O)Cc2ccccc2)cc(-c2cnc3n[nH]c(-c4cc5c(-c6cc(F)cc(OCCN(C)C)c6)cncc5[nH]4)c3c2)c1.
What is the InChIKey of N-[3-[3-[4-[3-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-5-methylphenyl]-2-phenylacetamide?
The InChIKey is SSXBFHIPJMCNKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H34FN7O2/c1-23-11-25(15-29(12-23)42-36(47)13-24-7-5-4-6-8-24)27-17-32-37(44-45-38(32)41-20-27)34-19-31-33(21-40-22-35(31)43-34)26-14-28(39)18-30(16-26)48-10-9-46(2)3/h4-8,11-12,14-22,43H,9-10,13H2,1-3H3,(H,42,47)(H,41,44,45).
What are the key properties of N-[3-[3-[4-[3-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-5-methylphenyl]-2-phenylacetamide?
N-[3-[3-[4-[3-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-5-methylphenyl]-2-phenylacetamide has a molecular weight of 639.74 g/mol, XLogP of 7.40, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-[4-[3-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-5-methylphenyl]-2-phenylacetamide is sourced from PubChem (CID 145247327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).