N-[[4-(1H-indazol-6-ylsulfamoyl)phenyl]methyl]-2,3-dihydro-1H-pyrrolo[3,2-c]pyridine-2-carboxamide

C22H20N6O3S — CID 146220915

IUPACN-[[4-(1H-indazol-6-ylsulfamoyl)phenyl]methyl]-2,3-dihydro-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
SMILESO=C(NCc1ccc(S(=O)(=O)Nc2ccc3cn[nH]c3c2)cc1)C1Cc2cnccc2N1
InChIInChI=1S/C22H20N6O3S/c29-22(21-9-16-12-23-8-7-19(16)26-21)24-11-14-1-5-18(6-2-14)32(30,31)28-17-4-3-15-13-25-27-20(15)10-17/h1-8,10,12-13,21,26,28H,9,11H2,(H,24,29)(H,25,27)
InChIKeyKTCZNTXNFOOACG-UHFFFAOYSA-N
MW448.51 g/mol
LogP2.41
Rot. Bonds6

About N-[[4-(1H-indazol-6-ylsulfamoyl)phenyl]methyl]-2,3-dihydro-1H-pyrrolo[3,2-c]pyridine-2-carboxamide

N-[[4-(1H-indazol-6-ylsulfamoyl)phenyl]methyl]-2,3-dihydro-1H-pyrrolo[3,2-c]pyridine-2-carboxamide (PubChem CID 146220915) has the molecular formula C22H20N6O3S and a molecular weight of 448.51 g/mol. Its IUPAC name is N-[[4-(1H-indazol-6-ylsulfamoyl)phenyl]methyl]-2,3-dihydro-1H-pyrrolo[3,2-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(1H-indazol-6-ylsulfamoyl)phenyl]methyl]-2,3-dihydro-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
PubChem CID146220915
Molecular FormulaC22H20N6O3S
Molecular Weight448.51 g/mol
Exact Mass448.13
IUPAC NameN-[[4-(1H-indazol-6-ylsulfamoyl)phenyl]methyl]-2,3-dihydro-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
SMILESO=C(NCc1ccc(S(=O)(=O)Nc2ccc3cn[nH]c3c2)cc1)C1Cc2cnccc2N1
InChIInChI=1S/C22H20N6O3S/c29-22(21-9-16-12-23-8-7-19(16)26-21)24-11-14-1-5-18(6-2-14)32(30,31)28-17-4-3-15-13-25-27-20(15)10-17/h1-8,10,12-13,21,26,28H,9,11H2,(H,24,29)(H,25,27)
InChIKeyKTCZNTXNFOOACG-UHFFFAOYSA-N
XLogP2.41
TPSA128.87 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.51
LogP ≤ 52.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(1H-indazol-6-ylsulfamoyl)phenyl]methyl]-2,3-dihydro-1H-pyrrolo[3,2-c]pyridine-2-carboxamide?
The IUPAC name of N-[[4-(1H-indazol-6-ylsulfamoyl)phenyl]methyl]-2,3-dihydro-1H-pyrrolo[3,2-c]pyridine-2-carboxamide (CID 146220915) is N-[[4-(1H-indazol-6-ylsulfamoyl)phenyl]methyl]-2,3-dihydro-1H-pyrrolo[3,2-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[[4-(1H-indazol-6-ylsulfamoyl)phenyl]methyl]-2,3-dihydro-1H-pyrrolo[3,2-c]pyridine-2-carboxamide?
The canonical SMILES for N-[[4-(1H-indazol-6-ylsulfamoyl)phenyl]methyl]-2,3-dihydro-1H-pyrrolo[3,2-c]pyridine-2-carboxamide is O=C(NCc1ccc(S(=O)(=O)Nc2ccc3cn[nH]c3c2)cc1)C1Cc2cnccc2N1.
What is the InChIKey of N-[[4-(1H-indazol-6-ylsulfamoyl)phenyl]methyl]-2,3-dihydro-1H-pyrrolo[3,2-c]pyridine-2-carboxamide?
The InChIKey is KTCZNTXNFOOACG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6O3S/c29-22(21-9-16-12-23-8-7-19(16)26-21)24-11-14-1-5-18(6-2-14)32(30,31)28-17-4-3-15-13-25-27-20(15)10-17/h1-8,10,12-13,21,26,28H,9,11H2,(H,24,29)(H,25,27).
What are the key properties of N-[[4-(1H-indazol-6-ylsulfamoyl)phenyl]methyl]-2,3-dihydro-1H-pyrrolo[3,2-c]pyridine-2-carboxamide?
N-[[4-(1H-indazol-6-ylsulfamoyl)phenyl]methyl]-2,3-dihydro-1H-pyrrolo[3,2-c]pyridine-2-carboxamide has a molecular weight of 448.51 g/mol, XLogP of 2.41, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(1H-indazol-6-ylsulfamoyl)phenyl]methyl]-2,3-dihydro-1H-pyrrolo[3,2-c]pyridine-2-carboxamide is sourced from PubChem (CID 146220915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).