1-(4-fluorophenyl)-N-[1-(5-methylsulfonyl-3-pyridinyl)propyl]pyrrolo[2,3-c]pyridine-4-carboxamide

C23H21FN4O3S — CID 75964745

IUPAC1-(4-fluorophenyl)-N-[1-(5-methylsulfonyl-3-pyridinyl)propyl]pyrrolo[2,3-c]pyridine-4-carboxamide
SMILESCCC(NC(=O)c1cncc2c1ccn2-c1ccc(F)cc1)c1cncc(S(C)(=O)=O)c1
InChIInChI=1S/C23H21FN4O3S/c1-3-21(15-10-18(12-25-11-15)32(2,30)31)27-23(29)20-13-26-14-22-19(20)8-9-28(22)17-6-4-16(24)5-7-17/h4-14,21H,3H2,1-2H3,(H,27,29)
InChIKeyUHGHWJZDZDAAEY-UHFFFAOYSA-N
MW452.51 g/mol
LogP3.84
Rot. Bonds6

About 1-(4-fluorophenyl)-N-[1-(5-methylsulfonyl-3-pyridinyl)propyl]pyrrolo[2,3-c]pyridine-4-carboxamide

1-(4-fluorophenyl)-N-[1-(5-methylsulfonyl-3-pyridinyl)propyl]pyrrolo[2,3-c]pyridine-4-carboxamide (PubChem CID 75964745) has the molecular formula C23H21FN4O3S and a molecular weight of 452.51 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[1-(5-methylsulfonyl-3-pyridinyl)propyl]pyrrolo[2,3-c]pyridine-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[1-(5-methylsulfonyl-3-pyridinyl)propyl]pyrrolo[2,3-c]pyridine-4-carboxamide
PubChem CID75964745
Molecular FormulaC23H21FN4O3S
Molecular Weight452.51 g/mol
Exact Mass452.13
IUPAC Name1-(4-fluorophenyl)-N-[1-(5-methylsulfonyl-3-pyridinyl)propyl]pyrrolo[2,3-c]pyridine-4-carboxamide
SMILESCCC(NC(=O)c1cncc2c1ccn2-c1ccc(F)cc1)c1cncc(S(C)(=O)=O)c1
InChIInChI=1S/C23H21FN4O3S/c1-3-21(15-10-18(12-25-11-15)32(2,30)31)27-23(29)20-13-26-14-22-19(20)8-9-28(22)17-6-4-16(24)5-7-17/h4-14,21H,3H2,1-2H3,(H,27,29)
InChIKeyUHGHWJZDZDAAEY-UHFFFAOYSA-N
XLogP3.84
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.51
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[1-(5-methylsulfonyl-3-pyridinyl)propyl]pyrrolo[2,3-c]pyridine-4-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[1-(5-methylsulfonyl-3-pyridinyl)propyl]pyrrolo[2,3-c]pyridine-4-carboxamide (CID 75964745) is 1-(4-fluorophenyl)-N-[1-(5-methylsulfonyl-3-pyridinyl)propyl]pyrrolo[2,3-c]pyridine-4-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[1-(5-methylsulfonyl-3-pyridinyl)propyl]pyrrolo[2,3-c]pyridine-4-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[1-(5-methylsulfonyl-3-pyridinyl)propyl]pyrrolo[2,3-c]pyridine-4-carboxamide is CCC(NC(=O)c1cncc2c1ccn2-c1ccc(F)cc1)c1cncc(S(C)(=O)=O)c1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[1-(5-methylsulfonyl-3-pyridinyl)propyl]pyrrolo[2,3-c]pyridine-4-carboxamide?
The InChIKey is UHGHWJZDZDAAEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O3S/c1-3-21(15-10-18(12-25-11-15)32(2,30)31)27-23(29)20-13-26-14-22-19(20)8-9-28(22)17-6-4-16(24)5-7-17/h4-14,21H,3H2,1-2H3,(H,27,29).
What are the key properties of 1-(4-fluorophenyl)-N-[1-(5-methylsulfonyl-3-pyridinyl)propyl]pyrrolo[2,3-c]pyridine-4-carboxamide?
1-(4-fluorophenyl)-N-[1-(5-methylsulfonyl-3-pyridinyl)propyl]pyrrolo[2,3-c]pyridine-4-carboxamide has a molecular weight of 452.51 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[1-(5-methylsulfonyl-3-pyridinyl)propyl]pyrrolo[2,3-c]pyridine-4-carboxamide is sourced from PubChem (CID 75964745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).