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

C25H22F2N4O2 — CID 57431515

IUPAC5-fluoro-1-[(3-fluorophenyl)methyl]-N-[6-(3-hydroxypyrrolidin-1-yl)-3-pyridinyl]indole-2-carboxamide
SMILESO=C(Nc1ccc(N2CCC(O)C2)nc1)c1cc2cc(F)ccc2n1Cc1cccc(F)c1
InChIInChI=1S/C25H22F2N4O2/c26-18-3-1-2-16(10-18)14-31-22-6-4-19(27)11-17(22)12-23(31)25(33)29-20-5-7-24(28-13-20)30-9-8-21(32)15-30/h1-7,10-13,21,32H,8-9,14-15H2,(H,29,33)
InChIKeyKDURMAFWEYOHNR-UHFFFAOYSA-N
MW448.47 g/mol
LogP4.19
Rot. Bonds5

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

5-fluoro-1-[(3-fluorophenyl)methyl]-N-[6-(3-hydroxypyrrolidin-1-yl)-3-pyridinyl]indole-2-carboxamide (PubChem CID 57431515) has the molecular formula C25H22F2N4O2 and a molecular weight of 448.47 g/mol. Its IUPAC name is 5-fluoro-1-[(3-fluorophenyl)methyl]-N-[6-(3-hydroxypyrrolidin-1-yl)-3-pyridinyl]indole-2-carboxamide.

Molecular Properties

Compound Name5-fluoro-1-[(3-fluorophenyl)methyl]-N-[6-(3-hydroxypyrrolidin-1-yl)-3-pyridinyl]indole-2-carboxamide
PubChem CID57431515
Molecular FormulaC25H22F2N4O2
Molecular Weight448.47 g/mol
Exact Mass448.17
IUPAC Name5-fluoro-1-[(3-fluorophenyl)methyl]-N-[6-(3-hydroxypyrrolidin-1-yl)-3-pyridinyl]indole-2-carboxamide
SMILESO=C(Nc1ccc(N2CCC(O)C2)nc1)c1cc2cc(F)ccc2n1Cc1cccc(F)c1
InChIInChI=1S/C25H22F2N4O2/c26-18-3-1-2-16(10-18)14-31-22-6-4-19(27)11-17(22)12-23(31)25(33)29-20-5-7-24(28-13-20)30-9-8-21(32)15-30/h1-7,10-13,21,32H,8-9,14-15H2,(H,29,33)
InChIKeyKDURMAFWEYOHNR-UHFFFAOYSA-N
XLogP4.19
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.47
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-fluoro-1-[(3-fluorophenyl)methyl]-N-[6-(3-hydroxyazetidin-1-yl)-3-pyridinyl]indole-2-carboxamide
CID 57431524
N-[6-[(3R)-3-aminopyrrolidin-1-yl]-3-pyridinyl]-5-fluoro-1-[(3-fluorophenyl)methyl]indole-2-carboxamide
CID 57431491
1-[(3-fluorophenyl)methyl]-N-[6-(3-hydroxyazetidin-1-yl)-3-pyridinyl]-6-(trifluoromethyl)indole-2-carboxamide
CID 57431501
N-[6-(azetidin-1-yl)-3-pyridinyl]-5-[ethyl(dimethyl)silyl]-1-[(3-fluorophenyl)methyl]indole-2-carboxamide
CID 66850271
N-[6-(3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]-5-fluoro-1-[(3-fluorophenyl)methyl]pyrrolo[2,3-b]pyridine-2-carboxamide
CID 66908003
N-[6-(azetidin-1-yl)-3-pyridinyl]-6-ethyl-1-[(3-fluorophenyl)methyl]indole-2-carboxamide
CID 57431512
5-fluoro-N-[6-(3-hydroxyazetidin-1-yl)-3-pyridinyl]-1-[(3-methylphenyl)methyl]pyrrolo[2,3-b]pyridine-2-carboxamide
CID 66907823
5-fluoro-1-[(3-fluorophenyl)methyl]-N-(4-methoxy-6-pyrrolidin-1-yl-3-pyridinyl)indole-2-carboxamide
CID 57431495
N-(5-amino-2,7,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),6,9,11-tetraen-10-yl)-5-fluoro-1-[(3-fluorophenyl)methyl]indole-2-carboxamide
CID 66905436
5-fluoro-N-[6-(3-hydroxyazetidin-1-yl)-3-pyridinyl]-1-[[3-(trifluoromethoxy)phenyl]methyl]pyrrolo[2,3-b]pyridine-2-carboxamide
CID 66907728
N-[6-(3-hydroxyazetidin-1-yl)-3-pyridinyl]-5-(trifluoromethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-b]pyridine-2-carboxamide
CID 87199103
5-fluoro-N-[6-(3-hydroxyazetidin-1-yl)-3-pyridinyl]-1-[[3-(trifluoromethoxy)phenyl]methyl]pyrrolo[2,3-b]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 87199120

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-[(3-fluorophenyl)methyl]-N-[6-(3-hydroxypyrrolidin-1-yl)-3-pyridinyl]indole-2-carboxamide?
The IUPAC name of 5-fluoro-1-[(3-fluorophenyl)methyl]-N-[6-(3-hydroxypyrrolidin-1-yl)-3-pyridinyl]indole-2-carboxamide (CID 57431515) is 5-fluoro-1-[(3-fluorophenyl)methyl]-N-[6-(3-hydroxypyrrolidin-1-yl)-3-pyridinyl]indole-2-carboxamide.
What is the SMILES notation for 5-fluoro-1-[(3-fluorophenyl)methyl]-N-[6-(3-hydroxypyrrolidin-1-yl)-3-pyridinyl]indole-2-carboxamide?
The canonical SMILES for 5-fluoro-1-[(3-fluorophenyl)methyl]-N-[6-(3-hydroxypyrrolidin-1-yl)-3-pyridinyl]indole-2-carboxamide is O=C(Nc1ccc(N2CCC(O)C2)nc1)c1cc2cc(F)ccc2n1Cc1cccc(F)c1.
What is the InChIKey of 5-fluoro-1-[(3-fluorophenyl)methyl]-N-[6-(3-hydroxypyrrolidin-1-yl)-3-pyridinyl]indole-2-carboxamide?
The InChIKey is KDURMAFWEYOHNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F2N4O2/c26-18-3-1-2-16(10-18)14-31-22-6-4-19(27)11-17(22)12-23(31)25(33)29-20-5-7-24(28-13-20)30-9-8-21(32)15-30/h1-7,10-13,21,32H,8-9,14-15H2,(H,29,33).
What are the key properties of 5-fluoro-1-[(3-fluorophenyl)methyl]-N-[6-(3-hydroxypyrrolidin-1-yl)-3-pyridinyl]indole-2-carboxamide?
5-fluoro-1-[(3-fluorophenyl)methyl]-N-[6-(3-hydroxypyrrolidin-1-yl)-3-pyridinyl]indole-2-carboxamide has a molecular weight of 448.47 g/mol, XLogP of 4.19, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-[(3-fluorophenyl)methyl]-N-[6-(3-hydroxypyrrolidin-1-yl)-3-pyridinyl]indole-2-carboxamide is sourced from PubChem (CID 57431515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).