N-[5-[3-[7-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-4-fluoro-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]pentanamide

C32H32F2N10O — CID 137056742

IUPACN-[5-[3-[7-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-4-fluoro-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]pentanamide
SMILESCCCCC(=O)Nc1cncc(-c2cnc3n[nH]c(-c4nc5nccc(-c6cc(F)cc(NCCN(C)C)c6)c5[nH]4)c3c2F)c1
InChIInChI=1S/C32H32F2N10O/c1-4-5-6-25(45)39-22-13-19(15-35-16-22)24-17-38-30-26(27(24)34)29(42-43-30)32-40-28-23(7-8-37-31(28)41-32)18-11-20(33)14-21(12-18)36-9-10-44(2)3/h7-8,11-17,36H,4-6,9-10H2,1-3H3,(H,39,45)(H,37,40,41)(H,38,42,43)
InChIKeyYYUNQGJKTPUIAI-UHFFFAOYSA-N
MW610.67 g/mol
LogP6.01
Rot. Bonds11

About N-[5-[3-[7-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-4-fluoro-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]pentanamide

N-[5-[3-[7-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-4-fluoro-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]pentanamide (PubChem CID 137056742) has the molecular formula C32H32F2N10O and a molecular weight of 610.67 g/mol. Its IUPAC name is N-[5-[3-[7-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-4-fluoro-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]pentanamide.

Molecular Properties

Compound NameN-[5-[3-[7-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-4-fluoro-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]pentanamide
PubChem CID137056742
Molecular FormulaC32H32F2N10O
Molecular Weight610.67 g/mol
Exact Mass610.27
IUPAC NameN-[5-[3-[7-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-4-fluoro-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]pentanamide
SMILESCCCCC(=O)Nc1cncc(-c2cnc3n[nH]c(-c4nc5nccc(-c6cc(F)cc(NCCN(C)C)c6)c5[nH]4)c3c2F)c1
InChIInChI=1S/C32H32F2N10O/c1-4-5-6-25(45)39-22-13-19(15-35-16-22)24-17-38-30-26(27(24)34)29(42-43-30)32-40-28-23(7-8-37-31(28)41-32)18-11-20(33)14-21(12-18)36-9-10-44(2)3/h7-8,11-17,36H,4-6,9-10H2,1-3H3,(H,39,45)(H,37,40,41)(H,38,42,43)
InChIKeyYYUNQGJKTPUIAI-UHFFFAOYSA-N
XLogP6.01
TPSA140.40 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.67
LogP ≤ 56.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze N-[5-[3-[7-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-4-fluoro-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]pentanamide with MolForge

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Related Compounds

N-[5-[4-fluoro-3-(7-pyridin-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]pentanamide
CID 137056397
N-[5-[3-[7-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-4-fluoro-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide
CID 137056740
N-[5-[4-fluoro-3-[7-(3-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide
CID 137056306
N-[5-[3-[4-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]pentanamide
CID 137054962
N-[5-[3-[4-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-4-fluoro-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-3-methylbutanamide
CID 136945476
N-[5-[4-fluoro-3-(7-pyridin-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide
CID 137056433
N-[5-[3-[7-[3-fluoro-5-(methanesulfonamidomethyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]pentanamide
CID 136946028
N-[5-[4-fluoro-3-(7-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide
CID 137056410
N-[5-[4-fluoro-3-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]pentanamide
CID 136945379
N-[5-[4-fluoro-3-[7-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide
CID 137056352
N-[3-fluoro-5-[2-[4-fluoro-5-[5-(propan-2-ylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]phenyl]-N',N'-dimethylethane-1,2-diamine
CID 136945486
N-[5-[4-fluoro-3-(7-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]pentanamide
CID 137135223

Frequently Asked Questions

What is the IUPAC name of N-[5-[3-[7-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-4-fluoro-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]pentanamide?
The IUPAC name of N-[5-[3-[7-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-4-fluoro-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]pentanamide (CID 137056742) is N-[5-[3-[7-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-4-fluoro-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]pentanamide.
What is the SMILES notation for N-[5-[3-[7-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-4-fluoro-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]pentanamide?
The canonical SMILES for N-[5-[3-[7-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-4-fluoro-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]pentanamide is CCCCC(=O)Nc1cncc(-c2cnc3n[nH]c(-c4nc5nccc(-c6cc(F)cc(NCCN(C)C)c6)c5[nH]4)c3c2F)c1.
What is the InChIKey of N-[5-[3-[7-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-4-fluoro-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]pentanamide?
The InChIKey is YYUNQGJKTPUIAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32F2N10O/c1-4-5-6-25(45)39-22-13-19(15-35-16-22)24-17-38-30-26(27(24)34)29(42-43-30)32-40-28-23(7-8-37-31(28)41-32)18-11-20(33)14-21(12-18)36-9-10-44(2)3/h7-8,11-17,36H,4-6,9-10H2,1-3H3,(H,39,45)(H,37,40,41)(H,38,42,43).
What are the key properties of N-[5-[3-[7-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-4-fluoro-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]pentanamide?
N-[5-[3-[7-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-4-fluoro-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]pentanamide has a molecular weight of 610.67 g/mol, XLogP of 6.01, 11 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-[7-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-4-fluoro-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]pentanamide is sourced from PubChem (CID 137056742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).