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

C34H33FN8O3S — CID 136937941

IUPAC2-cyclohexyl-N-[5-[3-[7-[3-fluoro-5-(methanesulfonamidomethyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]acetamide
SMILESCS(=O)(=O)NCc1cc(F)cc(-c2ccnc3nc(-c4n[nH]c5ccc(-c6cncc(NC(=O)CC7CCCCC7)c6)cc45)[nH]c23)c1
InChIInChI=1S/C34H33FN8O3S/c1-47(45,46)38-17-21-11-23(14-25(35)12-21)27-9-10-37-33-31(27)40-34(41-33)32-28-16-22(7-8-29(28)42-43-32)24-15-26(19-36-18-24)39-30(44)13-20-5-3-2-4-6-20/h7-12,14-16,18-20,38H,2-6,13,17H2,1H3,(H,39,44)(H,42,43)(H,37,40,41)
InChIKeyNNHHNSDXVDPAOP-UHFFFAOYSA-N
MW652.76 g/mol
LogP6.33
Rot. Bonds9

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

2-cyclohexyl-N-[5-[3-[7-[3-fluoro-5-(methanesulfonamidomethyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]acetamide (PubChem CID 136937941) has the molecular formula C34H33FN8O3S and a molecular weight of 652.76 g/mol. Its IUPAC name is 2-cyclohexyl-N-[5-[3-[7-[3-fluoro-5-(methanesulfonamidomethyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]acetamide.

Molecular Properties

Compound Name2-cyclohexyl-N-[5-[3-[7-[3-fluoro-5-(methanesulfonamidomethyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]acetamide
PubChem CID136937941
Molecular FormulaC34H33FN8O3S
Molecular Weight652.76 g/mol
Exact Mass652.24
IUPAC Name2-cyclohexyl-N-[5-[3-[7-[3-fluoro-5-(methanesulfonamidomethyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]acetamide
SMILESCS(=O)(=O)NCc1cc(F)cc(-c2ccnc3nc(-c4n[nH]c5ccc(-c6cncc(NC(=O)CC7CCCCC7)c6)cc45)[nH]c23)c1
InChIInChI=1S/C34H33FN8O3S/c1-47(45,46)38-17-21-11-23(14-25(35)12-21)27-9-10-37-33-31(27)40-34(41-33)32-28-16-22(7-8-29(28)42-43-32)24-15-26(19-36-18-24)39-30(44)13-20-5-3-2-4-6-20/h7-12,14-16,18-20,38H,2-6,13,17H2,1H3,(H,39,44)(H,42,43)(H,37,40,41)
InChIKeyNNHHNSDXVDPAOP-UHFFFAOYSA-N
XLogP6.33
TPSA158.41 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500652.76
LogP ≤ 56.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-[5-[3-[7-[3-fluoro-5-(methanesulfonamidomethyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]acetamide?
The IUPAC name of 2-cyclohexyl-N-[5-[3-[7-[3-fluoro-5-(methanesulfonamidomethyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]acetamide (CID 136937941) is 2-cyclohexyl-N-[5-[3-[7-[3-fluoro-5-(methanesulfonamidomethyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]acetamide.
What is the SMILES notation for 2-cyclohexyl-N-[5-[3-[7-[3-fluoro-5-(methanesulfonamidomethyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]acetamide?
The canonical SMILES for 2-cyclohexyl-N-[5-[3-[7-[3-fluoro-5-(methanesulfonamidomethyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]acetamide is CS(=O)(=O)NCc1cc(F)cc(-c2ccnc3nc(-c4n[nH]c5ccc(-c6cncc(NC(=O)CC7CCCCC7)c6)cc45)[nH]c23)c1.
What is the InChIKey of 2-cyclohexyl-N-[5-[3-[7-[3-fluoro-5-(methanesulfonamidomethyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]acetamide?
The InChIKey is NNHHNSDXVDPAOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H33FN8O3S/c1-47(45,46)38-17-21-11-23(14-25(35)12-21)27-9-10-37-33-31(27)40-34(41-33)32-28-16-22(7-8-29(28)42-43-32)24-15-26(19-36-18-24)39-30(44)13-20-5-3-2-4-6-20/h7-12,14-16,18-20,38H,2-6,13,17H2,1H3,(H,39,44)(H,42,43)(H,37,40,41).
What are the key properties of 2-cyclohexyl-N-[5-[3-[7-[3-fluoro-5-(methanesulfonamidomethyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]acetamide?
2-cyclohexyl-N-[5-[3-[7-[3-fluoro-5-(methanesulfonamidomethyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]acetamide has a molecular weight of 652.76 g/mol, XLogP of 6.33, 9 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-[5-[3-[7-[3-fluoro-5-(methanesulfonamidomethyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]acetamide is sourced from PubChem (CID 136937941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).