N-[[4-(1-propan-2-ylpiperidin-4-yl)sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide

C23H28N4O3S — CID 118005466

IUPACN-[[4-(1-propan-2-ylpiperidin-4-yl)sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
SMILESCC(C)N1CCC(S(=O)(=O)c2ccc(CNC(=O)c3cc4cnccc4[nH]3)cc2)CC1
InChIInChI=1S/C23H28N4O3S/c1-16(2)27-11-8-20(9-12-27)31(29,30)19-5-3-17(4-6-19)14-25-23(28)22-13-18-15-24-10-7-21(18)26-22/h3-7,10,13,15-16,20,26H,8-9,11-12,14H2,1-2H3,(H,25,28)
InChIKeyCBZWDASSAQNAFR-UHFFFAOYSA-N
MW440.57 g/mol
LogP3.14
Rot. Bonds6

About N-[[4-(1-propan-2-ylpiperidin-4-yl)sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide

N-[[4-(1-propan-2-ylpiperidin-4-yl)sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide (PubChem CID 118005466) has the molecular formula C23H28N4O3S and a molecular weight of 440.57 g/mol. Its IUPAC name is N-[[4-(1-propan-2-ylpiperidin-4-yl)sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(1-propan-2-ylpiperidin-4-yl)sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
PubChem CID118005466
Molecular FormulaC23H28N4O3S
Molecular Weight440.57 g/mol
Exact Mass440.19
IUPAC NameN-[[4-(1-propan-2-ylpiperidin-4-yl)sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
SMILESCC(C)N1CCC(S(=O)(=O)c2ccc(CNC(=O)c3cc4cnccc4[nH]3)cc2)CC1
InChIInChI=1S/C23H28N4O3S/c1-16(2)27-11-8-20(9-12-27)31(29,30)19-5-3-17(4-6-19)14-25-23(28)22-13-18-15-24-10-7-21(18)26-22/h3-7,10,13,15-16,20,26H,8-9,11-12,14H2,1-2H3,(H,25,28)
InChIKeyCBZWDASSAQNAFR-UHFFFAOYSA-N
XLogP3.14
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.57
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(1-propan-2-ylpiperidin-4-yl)sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide?
The IUPAC name of N-[[4-(1-propan-2-ylpiperidin-4-yl)sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide (CID 118005466) is N-[[4-(1-propan-2-ylpiperidin-4-yl)sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[[4-(1-propan-2-ylpiperidin-4-yl)sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide?
The canonical SMILES for N-[[4-(1-propan-2-ylpiperidin-4-yl)sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide is CC(C)N1CCC(S(=O)(=O)c2ccc(CNC(=O)c3cc4cnccc4[nH]3)cc2)CC1.
What is the InChIKey of N-[[4-(1-propan-2-ylpiperidin-4-yl)sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide?
The InChIKey is CBZWDASSAQNAFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3S/c1-16(2)27-11-8-20(9-12-27)31(29,30)19-5-3-17(4-6-19)14-25-23(28)22-13-18-15-24-10-7-21(18)26-22/h3-7,10,13,15-16,20,26H,8-9,11-12,14H2,1-2H3,(H,25,28).
What are the key properties of N-[[4-(1-propan-2-ylpiperidin-4-yl)sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide?
N-[[4-(1-propan-2-ylpiperidin-4-yl)sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide has a molecular weight of 440.57 g/mol, XLogP of 3.14, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(1-propan-2-ylpiperidin-4-yl)sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide is sourced from PubChem (CID 118005466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).