N-[2,4-difluoro-3-[5-(1H-indazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide

C24H19F2N5O3S — CID 53261844

IUPACN-[2,4-difluoro-3-[5-(1H-indazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4cccc5[nH]ncc45)cc23)c1F
InChIInChI=1S/C24H19F2N5O3S/c1-2-8-35(33,34)31-20-7-6-18(25)21(22(20)26)23(32)17-11-28-24-15(17)9-13(10-27-24)14-4-3-5-19-16(14)12-29-30-19/h3-7,9-12,31H,2,8H2,1H3,(H,27,28)(H,29,30)
InChIKeyBIRDKKWRLXGTCU-UHFFFAOYSA-N
MW495.51 g/mol
LogP4.77
Rot. Bonds7

About N-[2,4-difluoro-3-[5-(1H-indazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide

N-[2,4-difluoro-3-[5-(1H-indazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide (PubChem CID 53261844) has the molecular formula C24H19F2N5O3S and a molecular weight of 495.51 g/mol. Its IUPAC name is N-[2,4-difluoro-3-[5-(1H-indazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[2,4-difluoro-3-[5-(1H-indazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide
PubChem CID53261844
Molecular FormulaC24H19F2N5O3S
Molecular Weight495.51 g/mol
Exact Mass495.12
IUPAC NameN-[2,4-difluoro-3-[5-(1H-indazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4cccc5[nH]ncc45)cc23)c1F
InChIInChI=1S/C24H19F2N5O3S/c1-2-8-35(33,34)31-20-7-6-18(25)21(22(20)26)23(32)17-11-28-24-15(17)9-13(10-27-24)14-4-3-5-19-16(14)12-29-30-19/h3-7,9-12,31H,2,8H2,1H3,(H,27,28)(H,29,30)
InChIKeyBIRDKKWRLXGTCU-UHFFFAOYSA-N
XLogP4.77
TPSA120.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.51
LogP ≤ 54.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2,4-difluoro-3-[5-(1H-indazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide?
The IUPAC name of N-[2,4-difluoro-3-[5-(1H-indazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide (CID 53261844) is N-[2,4-difluoro-3-[5-(1H-indazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide.
What is the SMILES notation for N-[2,4-difluoro-3-[5-(1H-indazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide?
The canonical SMILES for N-[2,4-difluoro-3-[5-(1H-indazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide is CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4cccc5[nH]ncc45)cc23)c1F.
What is the InChIKey of N-[2,4-difluoro-3-[5-(1H-indazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide?
The InChIKey is BIRDKKWRLXGTCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F2N5O3S/c1-2-8-35(33,34)31-20-7-6-18(25)21(22(20)26)23(32)17-11-28-24-15(17)9-13(10-27-24)14-4-3-5-19-16(14)12-29-30-19/h3-7,9-12,31H,2,8H2,1H3,(H,27,28)(H,29,30).
What are the key properties of N-[2,4-difluoro-3-[5-(1H-indazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide?
N-[2,4-difluoro-3-[5-(1H-indazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide has a molecular weight of 495.51 g/mol, XLogP of 4.77, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,4-difluoro-3-[5-(1H-indazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide is sourced from PubChem (CID 53261844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).