N-[5-[7-fluoro-3-[4-[3-fluoro-5-(methanesulfonamidomethyl)phenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]-3,3-dimethylbutanamide

C32H30F2N8O3S — CID 136938400

IUPACN-[5-[7-fluoro-3-[4-[3-fluoro-5-(methanesulfonamidomethyl)phenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)Nc1cncc(-c2cc(F)c3n[nH]c(-c4nc5c(-c6cc(F)cc(CNS(C)(=O)=O)c6)nccc5[nH]4)c3c2)c1
InChIInChI=1S/C32H30F2N8O3S/c1-32(2,3)13-26(43)38-22-10-20(15-35-16-22)18-11-23-28(24(34)12-18)41-42-29(23)31-39-25-5-6-36-27(30(25)40-31)19-7-17(8-21(33)9-19)14-37-46(4,44)45/h5-12,15-16,37H,13-14H2,1-4H3,(H,38,43)(H,39,40)(H,41,42)
InChIKeySLNLPXLBROEOAH-UHFFFAOYSA-N
MW644.71 g/mol
LogP5.93
Rot. Bonds8

About N-[5-[7-fluoro-3-[4-[3-fluoro-5-(methanesulfonamidomethyl)phenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]-3,3-dimethylbutanamide

N-[5-[7-fluoro-3-[4-[3-fluoro-5-(methanesulfonamidomethyl)phenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]-3,3-dimethylbutanamide (PubChem CID 136938400) has the molecular formula C32H30F2N8O3S and a molecular weight of 644.71 g/mol. Its IUPAC name is N-[5-[7-fluoro-3-[4-[3-fluoro-5-(methanesulfonamidomethyl)phenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[5-[7-fluoro-3-[4-[3-fluoro-5-(methanesulfonamidomethyl)phenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]-3,3-dimethylbutanamide
PubChem CID136938400
Molecular FormulaC32H30F2N8O3S
Molecular Weight644.71 g/mol
Exact Mass644.21
IUPAC NameN-[5-[7-fluoro-3-[4-[3-fluoro-5-(methanesulfonamidomethyl)phenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)Nc1cncc(-c2cc(F)c3n[nH]c(-c4nc5c(-c6cc(F)cc(CNS(C)(=O)=O)c6)nccc5[nH]4)c3c2)c1
InChIInChI=1S/C32H30F2N8O3S/c1-32(2,3)13-26(43)38-22-10-20(15-35-16-22)18-11-23-28(24(34)12-18)41-42-29(23)31-39-25-5-6-36-27(30(25)40-31)19-7-17(8-21(33)9-19)14-37-46(4,44)45/h5-12,15-16,37H,13-14H2,1-4H3,(H,38,43)(H,39,40)(H,41,42)
InChIKeySLNLPXLBROEOAH-UHFFFAOYSA-N
XLogP5.93
TPSA158.41 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500644.71
LogP ≤ 55.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze N-[5-[7-fluoro-3-[4-[3-fluoro-5-(methanesulfonamidomethyl)phenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]-3,3-dimethylbutanamide with MolForge

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Related Compounds

N-[5-[3-[4-[3-fluoro-5-(methanesulfonamidomethyl)phenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-3,3-dimethylbutanamide
CID 136946335
N-[5-[7-fluoro-3-[4-[3-fluoro-5-(methanesulfonamidomethyl)phenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]propanamide
CID 136938383
N-[5-[7-fluoro-3-[4-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]-3,3-dimethylbutanamide
CID 162265040
N-[5-[7-fluoro-3-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]-3,3-dimethylbutanamide
CID 136935743
N-[5-[3-[4-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-7-fluoro-2H-indazol-5-yl]-3-pyridinyl]butanamide
CID 136935915
N-[5-[3-[4-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-7-fluoro-2H-indazol-5-yl]-3-pyridinyl]propanamide
CID 136935903
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]-3,3-dimethylbutanamide
CID 136945062
N-[5-[7-fluoro-3-[4-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]-3,3-dimethylbutanamide
CID 136935744
N-[5-[3-[4-[3-fluoro-5-(methanesulfonamidomethyl)phenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]-2-piperidin-4-ylacetamide
CID 137312177
N-[5-[3-[4-[3-fluoro-5-(methanesulfonamidomethyl)phenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide
CID 136946217
N-[5-[4-fluoro-3-[4-[3-fluoro-5-(methanesulfonamidomethyl)phenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide
CID 136946350
N-[5-[7-fluoro-3-(4-pyridin-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]propanamide
CID 136935643

Frequently Asked Questions

What is the IUPAC name of N-[5-[7-fluoro-3-[4-[3-fluoro-5-(methanesulfonamidomethyl)phenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]-3,3-dimethylbutanamide?
The IUPAC name of N-[5-[7-fluoro-3-[4-[3-fluoro-5-(methanesulfonamidomethyl)phenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]-3,3-dimethylbutanamide (CID 136938400) is N-[5-[7-fluoro-3-[4-[3-fluoro-5-(methanesulfonamidomethyl)phenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[5-[7-fluoro-3-[4-[3-fluoro-5-(methanesulfonamidomethyl)phenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[5-[7-fluoro-3-[4-[3-fluoro-5-(methanesulfonamidomethyl)phenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]-3,3-dimethylbutanamide is CC(C)(C)CC(=O)Nc1cncc(-c2cc(F)c3n[nH]c(-c4nc5c(-c6cc(F)cc(CNS(C)(=O)=O)c6)nccc5[nH]4)c3c2)c1.
What is the InChIKey of N-[5-[7-fluoro-3-[4-[3-fluoro-5-(methanesulfonamidomethyl)phenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]-3,3-dimethylbutanamide?
The InChIKey is SLNLPXLBROEOAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30F2N8O3S/c1-32(2,3)13-26(43)38-22-10-20(15-35-16-22)18-11-23-28(24(34)12-18)41-42-29(23)31-39-25-5-6-36-27(30(25)40-31)19-7-17(8-21(33)9-19)14-37-46(4,44)45/h5-12,15-16,37H,13-14H2,1-4H3,(H,38,43)(H,39,40)(H,41,42).
What are the key properties of N-[5-[7-fluoro-3-[4-[3-fluoro-5-(methanesulfonamidomethyl)phenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]-3,3-dimethylbutanamide?
N-[5-[7-fluoro-3-[4-[3-fluoro-5-(methanesulfonamidomethyl)phenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]-3,3-dimethylbutanamide has a molecular weight of 644.71 g/mol, XLogP of 5.93, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[7-fluoro-3-[4-[3-fluoro-5-(methanesulfonamidomethyl)phenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 136938400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).