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

C31H29FN8O3S — CID 136600794

IUPACN-[5-[3-[7-[3-fluoro-5-(methanesulfonamidomethyl)phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]pentanamide
SMILESCCCCC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6cc(F)cc(CNS(C)(=O)=O)c6)cncc5[nH]4)c3c2)c1
InChIInChI=1S/C31H29FN8O3S/c1-3-4-5-28(41)36-23-11-21(14-33-15-23)19-6-7-26-24(12-19)30(40-39-26)31-37-27-17-34-16-25(29(27)38-31)20-8-18(9-22(32)10-20)13-35-44(2,42)43/h6-12,14-17,35H,3-5,13H2,1-2H3,(H,36,41)(H,37,38)(H,39,40)
InChIKeyNDEVWPOCHALPNW-UHFFFAOYSA-N
MW612.69 g/mol
LogP5.55
Rot. Bonds10

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

N-[5-[3-[7-[3-fluoro-5-(methanesulfonamidomethyl)phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]pentanamide (PubChem CID 136600794) has the molecular formula C31H29FN8O3S and a molecular weight of 612.69 g/mol. Its IUPAC name is N-[5-[3-[7-[3-fluoro-5-(methanesulfonamidomethyl)phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]pentanamide.

Molecular Properties

Compound NameN-[5-[3-[7-[3-fluoro-5-(methanesulfonamidomethyl)phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]pentanamide
PubChem CID136600794
Molecular FormulaC31H29FN8O3S
Molecular Weight612.69 g/mol
Exact Mass612.21
IUPAC NameN-[5-[3-[7-[3-fluoro-5-(methanesulfonamidomethyl)phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]pentanamide
SMILESCCCCC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6cc(F)cc(CNS(C)(=O)=O)c6)cncc5[nH]4)c3c2)c1
InChIInChI=1S/C31H29FN8O3S/c1-3-4-5-28(41)36-23-11-21(14-33-15-23)19-6-7-26-24(12-19)30(40-39-26)31-37-27-17-34-16-25(29(27)38-31)20-8-18(9-22(32)10-20)13-35-44(2,42)43/h6-12,14-17,35H,3-5,13H2,1-2H3,(H,36,41)(H,37,38)(H,39,40)
InChIKeyNDEVWPOCHALPNW-UHFFFAOYSA-N
XLogP5.55
TPSA158.41 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500612.69
LogP ≤ 55.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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

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Related Compounds

Lorecivivint
CID 135565709
Ag-24322
CID 135413565
N-[2-(7-methyl-1H-indazol-5-yl)-1-[1-(pyridin-3-ylmethyl)imidazol-2-yl]ethyl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide
CID 11238677
N-[1-[1-[(3-fluorophenyl)methyl]imidazol-2-yl]-2-(7-methyl-1H-indazol-5-yl)ethyl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide
CID 11250445
N-[1-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]-2-(7-methyl-1H-indazol-5-yl)ethyl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide
CID 11250446
N-[1-[1-[(3,5-difluorophenyl)methyl]imidazol-2-yl]-2-(7-methyl-1H-indazol-5-yl)ethyl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide
CID 11411030
N-[2-(7-methyl-1H-indazol-5-yl)-1-[1-(pyridin-4-ylmethyl)imidazol-2-yl]ethyl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide
CID 11478841
N-[2-(7-methyl-1H-indazol-5-yl)-1-[1-[(2-methyl-4-pyridinyl)methyl]imidazol-2-yl]ethyl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide
CID 11478962
US10485800, Cmpd ID FS
CID 54765268
N-[5-(2,6-difluorophenyl)-1H-indol-3-yl]-5-(piperidin-4-ylmethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 71624601
N-[1-[1-[(3-fluorophenyl)methyl]-5-methylimidazol-2-yl]-2-(7-methyl-1H-indazol-5-yl)ethyl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide
CID 72190778
N-[1-[1-[(2-fluorophenyl)methyl]imidazol-2-yl]-2-(7-methyl-1H-indazol-5-yl)ethyl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide
CID 11169408

Frequently Asked Questions

What is the IUPAC name of N-[5-[3-[7-[3-fluoro-5-(methanesulfonamidomethyl)phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]pentanamide?
The IUPAC name of N-[5-[3-[7-[3-fluoro-5-(methanesulfonamidomethyl)phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]pentanamide (CID 136600794) is N-[5-[3-[7-[3-fluoro-5-(methanesulfonamidomethyl)phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]pentanamide.
What is the SMILES notation for N-[5-[3-[7-[3-fluoro-5-(methanesulfonamidomethyl)phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]pentanamide?
The canonical SMILES for N-[5-[3-[7-[3-fluoro-5-(methanesulfonamidomethyl)phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]pentanamide is CCCCC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6cc(F)cc(CNS(C)(=O)=O)c6)cncc5[nH]4)c3c2)c1.
What is the InChIKey of N-[5-[3-[7-[3-fluoro-5-(methanesulfonamidomethyl)phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]pentanamide?
The InChIKey is NDEVWPOCHALPNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29FN8O3S/c1-3-4-5-28(41)36-23-11-21(14-33-15-23)19-6-7-26-24(12-19)30(40-39-26)31-37-27-17-34-16-25(29(27)38-31)20-8-18(9-22(32)10-20)13-35-44(2,42)43/h6-12,14-17,35H,3-5,13H2,1-2H3,(H,36,41)(H,37,38)(H,39,40).
What are the key properties of N-[5-[3-[7-[3-fluoro-5-(methanesulfonamidomethyl)phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]pentanamide?
N-[5-[3-[7-[3-fluoro-5-(methanesulfonamidomethyl)phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]pentanamide has a molecular weight of 612.69 g/mol, XLogP of 5.55, 10 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-[7-[3-fluoro-5-(methanesulfonamidomethyl)phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]pentanamide is sourced from PubChem (CID 136600794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).