N-[[3-fluoro-5-[2-[5-(1H-pyrazol-4-yl)-1H-indazol-3-yl]-1H-pyrrolo[2,3-c]pyridin-4-yl]phenyl]methyl]methanesulfonamide

C25H20FN7O2S — CID 137038171

IUPACN-[[3-fluoro-5-[2-[5-(1H-pyrazol-4-yl)-1H-indazol-3-yl]-1H-pyrrolo[2,3-c]pyridin-4-yl]phenyl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCc1cc(F)cc(-c2cncc3[nH]c(-c4n[nH]c5ccc(-c6cn[nH]c6)cc45)cc23)c1
InChIInChI=1S/C25H20FN7O2S/c1-36(34,35)30-9-14-4-16(6-18(26)5-14)21-12-27-13-24-19(21)8-23(31-24)25-20-7-15(17-10-28-29-11-17)2-3-22(20)32-33-25/h2-8,10-13,30-31H,9H2,1H3,(H,28,29)(H,32,33)
InChIKeyQHDBHWPLFMNMKZ-UHFFFAOYSA-N
MW501.55 g/mol
LogP4.35
Rot. Bonds6

About N-[[3-fluoro-5-[2-[5-(1H-pyrazol-4-yl)-1H-indazol-3-yl]-1H-pyrrolo[2,3-c]pyridin-4-yl]phenyl]methyl]methanesulfonamide

N-[[3-fluoro-5-[2-[5-(1H-pyrazol-4-yl)-1H-indazol-3-yl]-1H-pyrrolo[2,3-c]pyridin-4-yl]phenyl]methyl]methanesulfonamide (PubChem CID 137038171) has the molecular formula C25H20FN7O2S and a molecular weight of 501.55 g/mol. Its IUPAC name is N-[[3-fluoro-5-[2-[5-(1H-pyrazol-4-yl)-1H-indazol-3-yl]-1H-pyrrolo[2,3-c]pyridin-4-yl]phenyl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[3-fluoro-5-[2-[5-(1H-pyrazol-4-yl)-1H-indazol-3-yl]-1H-pyrrolo[2,3-c]pyridin-4-yl]phenyl]methyl]methanesulfonamide
PubChem CID137038171
Molecular FormulaC25H20FN7O2S
Molecular Weight501.55 g/mol
Exact Mass501.14
IUPAC NameN-[[3-fluoro-5-[2-[5-(1H-pyrazol-4-yl)-1H-indazol-3-yl]-1H-pyrrolo[2,3-c]pyridin-4-yl]phenyl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCc1cc(F)cc(-c2cncc3[nH]c(-c4n[nH]c5ccc(-c6cn[nH]c6)cc45)cc23)c1
InChIInChI=1S/C25H20FN7O2S/c1-36(34,35)30-9-14-4-16(6-18(26)5-14)21-12-27-13-24-19(21)8-23(31-24)25-20-7-15(17-10-28-29-11-17)2-3-22(20)32-33-25/h2-8,10-13,30-31H,9H2,1H3,(H,28,29)(H,32,33)
InChIKeyQHDBHWPLFMNMKZ-UHFFFAOYSA-N
XLogP4.35
TPSA132.21 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.55
LogP ≤ 54.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-5-[2-[5-(1H-pyrazol-4-yl)-1H-indazol-3-yl]-1H-pyrrolo[2,3-c]pyridin-4-yl]phenyl]methyl]methanesulfonamide?
The IUPAC name of N-[[3-fluoro-5-[2-[5-(1H-pyrazol-4-yl)-1H-indazol-3-yl]-1H-pyrrolo[2,3-c]pyridin-4-yl]phenyl]methyl]methanesulfonamide (CID 137038171) is N-[[3-fluoro-5-[2-[5-(1H-pyrazol-4-yl)-1H-indazol-3-yl]-1H-pyrrolo[2,3-c]pyridin-4-yl]phenyl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[3-fluoro-5-[2-[5-(1H-pyrazol-4-yl)-1H-indazol-3-yl]-1H-pyrrolo[2,3-c]pyridin-4-yl]phenyl]methyl]methanesulfonamide?
The canonical SMILES for N-[[3-fluoro-5-[2-[5-(1H-pyrazol-4-yl)-1H-indazol-3-yl]-1H-pyrrolo[2,3-c]pyridin-4-yl]phenyl]methyl]methanesulfonamide is CS(=O)(=O)NCc1cc(F)cc(-c2cncc3[nH]c(-c4n[nH]c5ccc(-c6cn[nH]c6)cc45)cc23)c1.
What is the InChIKey of N-[[3-fluoro-5-[2-[5-(1H-pyrazol-4-yl)-1H-indazol-3-yl]-1H-pyrrolo[2,3-c]pyridin-4-yl]phenyl]methyl]methanesulfonamide?
The InChIKey is QHDBHWPLFMNMKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20FN7O2S/c1-36(34,35)30-9-14-4-16(6-18(26)5-14)21-12-27-13-24-19(21)8-23(31-24)25-20-7-15(17-10-28-29-11-17)2-3-22(20)32-33-25/h2-8,10-13,30-31H,9H2,1H3,(H,28,29)(H,32,33).
What are the key properties of N-[[3-fluoro-5-[2-[5-(1H-pyrazol-4-yl)-1H-indazol-3-yl]-1H-pyrrolo[2,3-c]pyridin-4-yl]phenyl]methyl]methanesulfonamide?
N-[[3-fluoro-5-[2-[5-(1H-pyrazol-4-yl)-1H-indazol-3-yl]-1H-pyrrolo[2,3-c]pyridin-4-yl]phenyl]methyl]methanesulfonamide has a molecular weight of 501.55 g/mol, XLogP of 4.35, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-fluoro-5-[2-[5-(1H-pyrazol-4-yl)-1H-indazol-3-yl]-1H-pyrrolo[2,3-c]pyridin-4-yl]phenyl]methyl]methanesulfonamide is sourced from PubChem (CID 137038171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).