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

C29H19FN8O2S — CID 136600767

IUPACN-[5-[3-[7-(5-fluoro-3-pyridinyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6cncc(F)c6)cncc5[nH]4)c3c2)c1)c1ccccc1
InChIInChI=1S/C29H19FN8O2S/c30-20-8-19(12-31-13-20)24-15-33-16-26-27(24)35-29(34-26)28-23-10-17(6-7-25(23)36-37-28)18-9-21(14-32-11-18)38-41(39,40)22-4-2-1-3-5-22/h1-16,38H,(H,34,35)(H,36,37)
InChIKeyRIPWUSSOXFDMKR-UHFFFAOYSA-N
MW562.59 g/mol
LogP5.57
Rot. Bonds6

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

N-[5-[3-[7-(5-fluoro-3-pyridinyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]benzenesulfonamide (PubChem CID 136600767) has the molecular formula C29H19FN8O2S and a molecular weight of 562.59 g/mol. Its IUPAC name is N-[5-[3-[7-(5-fluoro-3-pyridinyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[5-[3-[7-(5-fluoro-3-pyridinyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]benzenesulfonamide
PubChem CID136600767
Molecular FormulaC29H19FN8O2S
Molecular Weight562.59 g/mol
Exact Mass562.13
IUPAC NameN-[5-[3-[7-(5-fluoro-3-pyridinyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6cncc(F)c6)cncc5[nH]4)c3c2)c1)c1ccccc1
InChIInChI=1S/C29H19FN8O2S/c30-20-8-19(12-31-13-20)24-15-33-16-26-27(24)35-29(34-26)28-23-10-17(6-7-25(23)36-37-28)18-9-21(14-32-11-18)38-41(39,40)22-4-2-1-3-5-22/h1-16,38H,(H,34,35)(H,36,37)
InChIKeyRIPWUSSOXFDMKR-UHFFFAOYSA-N
XLogP5.57
TPSA142.20 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.59
LogP ≤ 55.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-[3-[7-(5-fluoro-3-pyridinyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]benzenesulfonamide?
The IUPAC name of N-[5-[3-[7-(5-fluoro-3-pyridinyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]benzenesulfonamide (CID 136600767) is N-[5-[3-[7-(5-fluoro-3-pyridinyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for N-[5-[3-[7-(5-fluoro-3-pyridinyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for N-[5-[3-[7-(5-fluoro-3-pyridinyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]benzenesulfonamide is O=S(=O)(Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6cncc(F)c6)cncc5[nH]4)c3c2)c1)c1ccccc1.
What is the InChIKey of N-[5-[3-[7-(5-fluoro-3-pyridinyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]benzenesulfonamide?
The InChIKey is RIPWUSSOXFDMKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H19FN8O2S/c30-20-8-19(12-31-13-20)24-15-33-16-26-27(24)35-29(34-26)28-23-10-17(6-7-25(23)36-37-28)18-9-21(14-32-11-18)38-41(39,40)22-4-2-1-3-5-22/h1-16,38H,(H,34,35)(H,36,37).
What are the key properties of N-[5-[3-[7-(5-fluoro-3-pyridinyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]benzenesulfonamide?
N-[5-[3-[7-(5-fluoro-3-pyridinyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]benzenesulfonamide has a molecular weight of 562.59 g/mol, XLogP of 5.57, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-[7-(5-fluoro-3-pyridinyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 136600767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).