5-fluoro-1-[(3-fluorophenyl)methyl]-N-(5-methoxy-6-pyrrolidin-1-yl-3-pyridinyl)indole-2-carboxamide

C26H24F2N4O2 — CID 57431493

IUPAC5-fluoro-1-[(3-fluorophenyl)methyl]-N-(5-methoxy-6-pyrrolidin-1-yl-3-pyridinyl)indole-2-carboxamide
SMILESCOc1cc(NC(=O)c2cc3cc(F)ccc3n2Cc2cccc(F)c2)cnc1N1CCCC1
InChIInChI=1S/C26H24F2N4O2/c1-34-24-14-21(15-29-25(24)31-9-2-3-10-31)30-26(33)23-13-18-12-20(28)7-8-22(18)32(23)16-17-5-4-6-19(27)11-17/h4-8,11-15H,2-3,9-10,16H2,1H3,(H,30,33)
InChIKeyWNJXGKCIEHLZMD-UHFFFAOYSA-N
MW462.50 g/mol
LogP5.22
Rot. Bonds6

About 5-fluoro-1-[(3-fluorophenyl)methyl]-N-(5-methoxy-6-pyrrolidin-1-yl-3-pyridinyl)indole-2-carboxamide

5-fluoro-1-[(3-fluorophenyl)methyl]-N-(5-methoxy-6-pyrrolidin-1-yl-3-pyridinyl)indole-2-carboxamide (PubChem CID 57431493) has the molecular formula C26H24F2N4O2 and a molecular weight of 462.50 g/mol. Its IUPAC name is 5-fluoro-1-[(3-fluorophenyl)methyl]-N-(5-methoxy-6-pyrrolidin-1-yl-3-pyridinyl)indole-2-carboxamide.

Molecular Properties

Compound Name5-fluoro-1-[(3-fluorophenyl)methyl]-N-(5-methoxy-6-pyrrolidin-1-yl-3-pyridinyl)indole-2-carboxamide
PubChem CID57431493
Molecular FormulaC26H24F2N4O2
Molecular Weight462.50 g/mol
Exact Mass462.19
IUPAC Name5-fluoro-1-[(3-fluorophenyl)methyl]-N-(5-methoxy-6-pyrrolidin-1-yl-3-pyridinyl)indole-2-carboxamide
SMILESCOc1cc(NC(=O)c2cc3cc(F)ccc3n2Cc2cccc(F)c2)cnc1N1CCCC1
InChIInChI=1S/C26H24F2N4O2/c1-34-24-14-21(15-29-25(24)31-9-2-3-10-31)30-26(33)23-13-18-12-20(28)7-8-22(18)32(23)16-17-5-4-6-19(27)11-17/h4-8,11-15H,2-3,9-10,16H2,1H3,(H,30,33)
InChIKeyWNJXGKCIEHLZMD-UHFFFAOYSA-N
XLogP5.22
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.50
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-[(3-fluorophenyl)methyl]-N-(5-methoxy-6-pyrrolidin-1-yl-3-pyridinyl)indole-2-carboxamide?
The IUPAC name of 5-fluoro-1-[(3-fluorophenyl)methyl]-N-(5-methoxy-6-pyrrolidin-1-yl-3-pyridinyl)indole-2-carboxamide (CID 57431493) is 5-fluoro-1-[(3-fluorophenyl)methyl]-N-(5-methoxy-6-pyrrolidin-1-yl-3-pyridinyl)indole-2-carboxamide.
What is the SMILES notation for 5-fluoro-1-[(3-fluorophenyl)methyl]-N-(5-methoxy-6-pyrrolidin-1-yl-3-pyridinyl)indole-2-carboxamide?
The canonical SMILES for 5-fluoro-1-[(3-fluorophenyl)methyl]-N-(5-methoxy-6-pyrrolidin-1-yl-3-pyridinyl)indole-2-carboxamide is COc1cc(NC(=O)c2cc3cc(F)ccc3n2Cc2cccc(F)c2)cnc1N1CCCC1.
What is the InChIKey of 5-fluoro-1-[(3-fluorophenyl)methyl]-N-(5-methoxy-6-pyrrolidin-1-yl-3-pyridinyl)indole-2-carboxamide?
The InChIKey is WNJXGKCIEHLZMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F2N4O2/c1-34-24-14-21(15-29-25(24)31-9-2-3-10-31)30-26(33)23-13-18-12-20(28)7-8-22(18)32(23)16-17-5-4-6-19(27)11-17/h4-8,11-15H,2-3,9-10,16H2,1H3,(H,30,33).
What are the key properties of 5-fluoro-1-[(3-fluorophenyl)methyl]-N-(5-methoxy-6-pyrrolidin-1-yl-3-pyridinyl)indole-2-carboxamide?
5-fluoro-1-[(3-fluorophenyl)methyl]-N-(5-methoxy-6-pyrrolidin-1-yl-3-pyridinyl)indole-2-carboxamide has a molecular weight of 462.50 g/mol, XLogP of 5.22, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-[(3-fluorophenyl)methyl]-N-(5-methoxy-6-pyrrolidin-1-yl-3-pyridinyl)indole-2-carboxamide is sourced from PubChem (CID 57431493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).