N-[5-[6-fluoro-3-[4-[3-fluoro-5-(methanesulfonamidomethyl)phenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide

C33H30F2N8O3S — CID 136938256

IUPACN-[5-[6-fluoro-3-[4-[3-fluoro-5-(methanesulfonamidomethyl)phenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide
SMILESCS(=O)(=O)NCc1cc(F)cc(-c2nccc3[nH]c(-c4n[nH]c5cc(F)c(-c6cncc(NC(=O)C7CCCCC7)c6)cc45)nc23)c1
InChIInChI=1S/C33H30F2N8O3S/c1-47(45,46)38-15-18-9-20(11-22(34)10-18)29-31-27(7-8-37-29)40-32(41-31)30-25-13-24(26(35)14-28(25)42-43-30)21-12-23(17-36-16-21)39-33(44)19-5-3-2-4-6-19/h7-14,16-17,19,38H,2-6,15H2,1H3,(H,39,44)(H,40,41)(H,42,43)
InChIKeyDWBPCNKIEDRYLC-UHFFFAOYSA-N
MW656.72 g/mol
LogP6.08
Rot. Bonds8

About N-[5-[6-fluoro-3-[4-[3-fluoro-5-(methanesulfonamidomethyl)phenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide

N-[5-[6-fluoro-3-[4-[3-fluoro-5-(methanesulfonamidomethyl)phenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide (PubChem CID 136938256) has the molecular formula C33H30F2N8O3S and a molecular weight of 656.72 g/mol. Its IUPAC name is N-[5-[6-fluoro-3-[4-[3-fluoro-5-(methanesulfonamidomethyl)phenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[5-[6-fluoro-3-[4-[3-fluoro-5-(methanesulfonamidomethyl)phenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide
PubChem CID136938256
Molecular FormulaC33H30F2N8O3S
Molecular Weight656.72 g/mol
Exact Mass656.21
IUPAC NameN-[5-[6-fluoro-3-[4-[3-fluoro-5-(methanesulfonamidomethyl)phenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide
SMILESCS(=O)(=O)NCc1cc(F)cc(-c2nccc3[nH]c(-c4n[nH]c5cc(F)c(-c6cncc(NC(=O)C7CCCCC7)c6)cc45)nc23)c1
InChIInChI=1S/C33H30F2N8O3S/c1-47(45,46)38-15-18-9-20(11-22(34)10-18)29-31-27(7-8-37-29)40-32(41-31)30-25-13-24(26(35)14-28(25)42-43-30)21-12-23(17-36-16-21)39-33(44)19-5-3-2-4-6-19/h7-14,16-17,19,38H,2-6,15H2,1H3,(H,39,44)(H,40,41)(H,42,43)
InChIKeyDWBPCNKIEDRYLC-UHFFFAOYSA-N
XLogP6.08
TPSA158.41 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500656.72
LogP ≤ 56.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze N-[5-[6-fluoro-3-[4-[3-fluoro-5-(methanesulfonamidomethyl)phenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-[6-fluoro-3-[4-[3-fluoro-5-(methanesulfonamidomethyl)phenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide?
The IUPAC name of N-[5-[6-fluoro-3-[4-[3-fluoro-5-(methanesulfonamidomethyl)phenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide (CID 136938256) is N-[5-[6-fluoro-3-[4-[3-fluoro-5-(methanesulfonamidomethyl)phenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[5-[6-fluoro-3-[4-[3-fluoro-5-(methanesulfonamidomethyl)phenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide?
The canonical SMILES for N-[5-[6-fluoro-3-[4-[3-fluoro-5-(methanesulfonamidomethyl)phenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide is CS(=O)(=O)NCc1cc(F)cc(-c2nccc3[nH]c(-c4n[nH]c5cc(F)c(-c6cncc(NC(=O)C7CCCCC7)c6)cc45)nc23)c1.
What is the InChIKey of N-[5-[6-fluoro-3-[4-[3-fluoro-5-(methanesulfonamidomethyl)phenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide?
The InChIKey is DWBPCNKIEDRYLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H30F2N8O3S/c1-47(45,46)38-15-18-9-20(11-22(34)10-18)29-31-27(7-8-37-29)40-32(41-31)30-25-13-24(26(35)14-28(25)42-43-30)21-12-23(17-36-16-21)39-33(44)19-5-3-2-4-6-19/h7-14,16-17,19,38H,2-6,15H2,1H3,(H,39,44)(H,40,41)(H,42,43).
What are the key properties of N-[5-[6-fluoro-3-[4-[3-fluoro-5-(methanesulfonamidomethyl)phenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide?
N-[5-[6-fluoro-3-[4-[3-fluoro-5-(methanesulfonamidomethyl)phenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide has a molecular weight of 656.72 g/mol, XLogP of 6.08, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[6-fluoro-3-[4-[3-fluoro-5-(methanesulfonamidomethyl)phenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide is sourced from PubChem (CID 136938256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).