N-[4-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]butyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide

C23H27FN4O3S — CID 70983957

IUPACN-[4-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]butyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
SMILESO=C(NCCCCC1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)c1cc2cnccc2[nH]1
InChIInChI=1S/C23H27FN4O3S/c24-19-4-6-20(7-5-19)32(30,31)28-13-9-17(10-14-28)3-1-2-11-26-23(29)22-15-18-16-25-12-8-21(18)27-22/h4-8,12,15-17,27H,1-3,9-11,13-14H2,(H,26,29)
InChIKeyZZTRLIZCTWBDND-UHFFFAOYSA-N
MW458.56 g/mol
LogP3.70
Rot. Bonds8

About N-[4-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]butyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide

N-[4-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]butyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide (PubChem CID 70983957) has the molecular formula C23H27FN4O3S and a molecular weight of 458.56 g/mol. Its IUPAC name is N-[4-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]butyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]butyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
PubChem CID70983957
Molecular FormulaC23H27FN4O3S
Molecular Weight458.56 g/mol
Exact Mass458.18
IUPAC NameN-[4-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]butyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
SMILESO=C(NCCCCC1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)c1cc2cnccc2[nH]1
InChIInChI=1S/C23H27FN4O3S/c24-19-4-6-20(7-5-19)32(30,31)28-13-9-17(10-14-28)3-1-2-11-26-23(29)22-15-18-16-25-12-8-21(18)27-22/h4-8,12,15-17,27H,1-3,9-11,13-14H2,(H,26,29)
InChIKeyZZTRLIZCTWBDND-UHFFFAOYSA-N
XLogP3.70
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.56
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[4-(1H-pyrrolo[3,2-c]pyridine-2-carbonylamino)butyl]piperidine-1-carboxylic acid
CID 90374114
6-[1-(benzenesulfonyl)piperidin-4-yl]-1-(1H-pyrrolo[3,2-c]pyridin-2-yl)hexan-1-one
CID 162300880
N-[4-[1-(4-chlorobenzoyl)piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide;N-[4-[1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]piperidin-4-yl]butyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
CID 157399723
N-[4-[1-(1H-indole-5-carbonyl)piperidin-4-yl]butyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
CID 70984090
N-[3-(1-benzoylpiperidin-3-yl)propyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
CID 126510184
N-[4-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)butyl]-3-pyridin-3-ylpropanamide
CID 18425754
N-[[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
CID 66611916
1-cyclohexyl-3-[2-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]ethyl]urea
CID 50822758
(3-methyloxetan-3-yl) 6-[2-(1H-pyrrolo[3,2-c]pyridine-2-carbonylamino)ethyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 162501916
N-[4-(4-fluorophenoxy)butyl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 42572130
N-[3-(4-fluorophenyl)propyl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 100652408
N-[[4-(cyclopentylsulfonylamino)phenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
CID 134132017

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]butyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide?
The IUPAC name of N-[4-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]butyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide (CID 70983957) is N-[4-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]butyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[4-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]butyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide?
The canonical SMILES for N-[4-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]butyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide is O=C(NCCCCC1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)c1cc2cnccc2[nH]1.
What is the InChIKey of N-[4-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]butyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide?
The InChIKey is ZZTRLIZCTWBDND-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN4O3S/c24-19-4-6-20(7-5-19)32(30,31)28-13-9-17(10-14-28)3-1-2-11-26-23(29)22-15-18-16-25-12-8-21(18)27-22/h4-8,12,15-17,27H,1-3,9-11,13-14H2,(H,26,29).
What are the key properties of N-[4-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]butyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide?
N-[4-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]butyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide has a molecular weight of 458.56 g/mol, XLogP of 3.70, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]butyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide is sourced from PubChem (CID 70983957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).