N-[[3-fluoro-5-[2-[7-fluoro-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]phenyl]methyl]methanesulfonamide

C32H30F2N8O2S — CID 136938411

IUPACN-[[3-fluoro-5-[2-[7-fluoro-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]phenyl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCc1cc(F)cc(-c2nccc3[nH]c(-c4[nH]nc5c(F)cc(-c6cncc(CN7CCCCC7)c6)cc45)nc23)c1
InChIInChI=1S/C32H30F2N8O2S/c1-45(43,44)37-16-19-9-22(12-24(33)11-19)28-31-27(5-6-36-28)38-32(39-31)30-25-13-21(14-26(34)29(25)40-41-30)23-10-20(15-35-17-23)18-42-7-3-2-4-8-42/h5-6,9-15,17,37H,2-4,7-8,16,18H2,1H3,(H,38,39)(H,40,41)
InChIKeyFKZQCVQSTYBZFZ-UHFFFAOYSA-N
MW628.71 g/mol
LogP5.54
Rot. Bonds8

About N-[[3-fluoro-5-[2-[7-fluoro-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]phenyl]methyl]methanesulfonamide

N-[[3-fluoro-5-[2-[7-fluoro-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]phenyl]methyl]methanesulfonamide (PubChem CID 136938411) has the molecular formula C32H30F2N8O2S and a molecular weight of 628.71 g/mol. Its IUPAC name is N-[[3-fluoro-5-[2-[7-fluoro-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]phenyl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[3-fluoro-5-[2-[7-fluoro-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]phenyl]methyl]methanesulfonamide
PubChem CID136938411
Molecular FormulaC32H30F2N8O2S
Molecular Weight628.71 g/mol
Exact Mass628.22
IUPAC NameN-[[3-fluoro-5-[2-[7-fluoro-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]phenyl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCc1cc(F)cc(-c2nccc3[nH]c(-c4[nH]nc5c(F)cc(-c6cncc(CN7CCCCC7)c6)cc45)nc23)c1
InChIInChI=1S/C32H30F2N8O2S/c1-45(43,44)37-16-19-9-22(12-24(33)11-19)28-31-27(5-6-36-28)38-32(39-31)30-25-13-21(14-26(34)29(25)40-41-30)23-10-20(15-35-17-23)18-42-7-3-2-4-8-42/h5-6,9-15,17,37H,2-4,7-8,16,18H2,1H3,(H,38,39)(H,40,41)
InChIKeyFKZQCVQSTYBZFZ-UHFFFAOYSA-N
XLogP5.54
TPSA132.55 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500628.71
LogP ≤ 55.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-5-[2-[7-fluoro-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]phenyl]methyl]methanesulfonamide?
The IUPAC name of N-[[3-fluoro-5-[2-[7-fluoro-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]phenyl]methyl]methanesulfonamide (CID 136938411) is N-[[3-fluoro-5-[2-[7-fluoro-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]phenyl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[3-fluoro-5-[2-[7-fluoro-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]phenyl]methyl]methanesulfonamide?
The canonical SMILES for N-[[3-fluoro-5-[2-[7-fluoro-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]phenyl]methyl]methanesulfonamide is CS(=O)(=O)NCc1cc(F)cc(-c2nccc3[nH]c(-c4[nH]nc5c(F)cc(-c6cncc(CN7CCCCC7)c6)cc45)nc23)c1.
What is the InChIKey of N-[[3-fluoro-5-[2-[7-fluoro-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]phenyl]methyl]methanesulfonamide?
The InChIKey is FKZQCVQSTYBZFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30F2N8O2S/c1-45(43,44)37-16-19-9-22(12-24(33)11-19)28-31-27(5-6-36-28)38-32(39-31)30-25-13-21(14-26(34)29(25)40-41-30)23-10-20(15-35-17-23)18-42-7-3-2-4-8-42/h5-6,9-15,17,37H,2-4,7-8,16,18H2,1H3,(H,38,39)(H,40,41).
What are the key properties of N-[[3-fluoro-5-[2-[7-fluoro-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]phenyl]methyl]methanesulfonamide?
N-[[3-fluoro-5-[2-[7-fluoro-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]phenyl]methyl]methanesulfonamide has a molecular weight of 628.71 g/mol, XLogP of 5.54, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-fluoro-5-[2-[7-fluoro-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]phenyl]methyl]methanesulfonamide is sourced from PubChem (CID 136938411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).