N-[[4-(1-methylindazol-7-yl)sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[[4-(3-pyrazol-1-ylphenyl)sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide

C47H38N10O6S2 — CID 90013960

IUPACN-[[4-(1-methylindazol-7-yl)sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[[4-(3-pyrazol-1-ylphenyl)sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
SMILESCn1ncc2cccc(S(=O)(=O)c3ccc(CNC(=O)c4cc5cnccc5[nH]4)cc3)c21.O=C(NCc1ccc(S(=O)(=O)c2cccc(-n3cccn3)c2)cc1)c1cc2cnccc2[nH]1
InChIInChI=1S/C24H19N5O3S.C23H19N5O3S/c30-24(23-13-18-16-25-11-9-22(18)28-23)26-15-17-5-7-20(8-6-17)33(31,32)21-4-1-3-19(14-21)29-12-2-10-27-29;1-28-22-16(14-26-28)3-2-4-21(22)32(30,31)18-7-5-15(6-8-18)12-25-23(29)20-11-17-13-24-10-9-19(17)27-20/h1-14,16,28H,15H2,(H,26,30);2-11,13-14,27H,12H2,1H3,(H,25,29)
InChIKeyGWPYXTWMMZAYDV-UHFFFAOYSA-N
MW903.02 g/mol
LogP6.72
Rot. Bonds11

About N-[[4-(1-methylindazol-7-yl)sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[[4-(3-pyrazol-1-ylphenyl)sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide

N-[[4-(1-methylindazol-7-yl)sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[[4-(3-pyrazol-1-ylphenyl)sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide (PubChem CID 90013960) has the molecular formula C47H38N10O6S2 and a molecular weight of 903.02 g/mol. Its IUPAC name is N-[[4-(1-methylindazol-7-yl)sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[[4-(3-pyrazol-1-ylphenyl)sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(1-methylindazol-7-yl)sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[[4-(3-pyrazol-1-ylphenyl)sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
PubChem CID90013960
Molecular FormulaC47H38N10O6S2
Molecular Weight903.02 g/mol
Exact Mass902.24
IUPAC NameN-[[4-(1-methylindazol-7-yl)sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[[4-(3-pyrazol-1-ylphenyl)sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
SMILESCn1ncc2cccc(S(=O)(=O)c3ccc(CNC(=O)c4cc5cnccc5[nH]4)cc3)c21.O=C(NCc1ccc(S(=O)(=O)c2cccc(-n3cccn3)c2)cc1)c1cc2cnccc2[nH]1
InChIInChI=1S/C24H19N5O3S.C23H19N5O3S/c30-24(23-13-18-16-25-11-9-22(18)28-23)26-15-17-5-7-20(8-6-17)33(31,32)21-4-1-3-19(14-21)29-12-2-10-27-29;1-28-22-16(14-26-28)3-2-4-21(22)32(30,31)18-7-5-15(6-8-18)12-25-23(29)20-11-17-13-24-10-9-19(17)27-20/h1-14,16,28H,15H2,(H,26,30);2-11,13-14,27H,12H2,1H3,(H,25,29)
InChIKeyGWPYXTWMMZAYDV-UHFFFAOYSA-N
XLogP6.72
TPSA219.48 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds11
Heavy Atoms65
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500903.02
LogP ≤ 56.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Analyze N-[[4-(1-methylindazol-7-yl)sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[[4-(3-pyrazol-1-ylphenyl)sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(1-methylindazol-7-yl)sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[[4-(3-pyrazol-1-ylphenyl)sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide?
The IUPAC name of N-[[4-(1-methylindazol-7-yl)sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[[4-(3-pyrazol-1-ylphenyl)sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide (CID 90013960) is N-[[4-(1-methylindazol-7-yl)sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[[4-(3-pyrazol-1-ylphenyl)sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[[4-(1-methylindazol-7-yl)sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[[4-(3-pyrazol-1-ylphenyl)sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide?
The canonical SMILES for N-[[4-(1-methylindazol-7-yl)sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[[4-(3-pyrazol-1-ylphenyl)sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide is Cn1ncc2cccc(S(=O)(=O)c3ccc(CNC(=O)c4cc5cnccc5[nH]4)cc3)c21.O=C(NCc1ccc(S(=O)(=O)c2cccc(-n3cccn3)c2)cc1)c1cc2cnccc2[nH]1.
What is the InChIKey of N-[[4-(1-methylindazol-7-yl)sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[[4-(3-pyrazol-1-ylphenyl)sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide?
The InChIKey is GWPYXTWMMZAYDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N5O3S.C23H19N5O3S/c30-24(23-13-18-16-25-11-9-22(18)28-23)26-15-17-5-7-20(8-6-17)33(31,32)21-4-1-3-19(14-21)29-12-2-10-27-29;1-28-22-16(14-26-28)3-2-4-21(22)32(30,31)18-7-5-15(6-8-18)12-25-23(29)20-11-17-13-24-10-9-19(17)27-20/h1-14,16,28H,15H2,(H,26,30);2-11,13-14,27H,12H2,1H3,(H,25,29).
What are the key properties of N-[[4-(1-methylindazol-7-yl)sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[[4-(3-pyrazol-1-ylphenyl)sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide?
N-[[4-(1-methylindazol-7-yl)sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[[4-(3-pyrazol-1-ylphenyl)sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide has a molecular weight of 903.02 g/mol, XLogP of 6.72, 11 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(1-methylindazol-7-yl)sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[[4-(3-pyrazol-1-ylphenyl)sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide is sourced from PubChem (CID 90013960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).