N-[6-(azetidin-1-yl)-3-pyridinyl]-6-ethyl-1-[(3-fluorophenyl)methyl]indole-2-carboxamide

C26H25FN4O — CID 57431512

IUPACN-[6-(azetidin-1-yl)-3-pyridinyl]-6-ethyl-1-[(3-fluorophenyl)methyl]indole-2-carboxamide
SMILESCCc1ccc2cc(C(=O)Nc3ccc(N4CCC4)nc3)n(Cc3cccc(F)c3)c2c1
InChIInChI=1S/C26H25FN4O/c1-2-18-7-8-20-15-24(31(23(20)14-18)17-19-5-3-6-21(27)13-19)26(32)29-22-9-10-25(28-16-22)30-11-4-12-30/h3,5-10,13-16H,2,4,11-12,17H2,1H3,(H,29,32)
InChIKeyBVFCWPFXXLQGJR-UHFFFAOYSA-N
MW428.51 g/mol
LogP5.25
Rot. Bonds6

About N-[6-(azetidin-1-yl)-3-pyridinyl]-6-ethyl-1-[(3-fluorophenyl)methyl]indole-2-carboxamide

N-[6-(azetidin-1-yl)-3-pyridinyl]-6-ethyl-1-[(3-fluorophenyl)methyl]indole-2-carboxamide (PubChem CID 57431512) has the molecular formula C26H25FN4O and a molecular weight of 428.51 g/mol. Its IUPAC name is N-[6-(azetidin-1-yl)-3-pyridinyl]-6-ethyl-1-[(3-fluorophenyl)methyl]indole-2-carboxamide.

Molecular Properties

Compound NameN-[6-(azetidin-1-yl)-3-pyridinyl]-6-ethyl-1-[(3-fluorophenyl)methyl]indole-2-carboxamide
PubChem CID57431512
Molecular FormulaC26H25FN4O
Molecular Weight428.51 g/mol
Exact Mass428.20
IUPAC NameN-[6-(azetidin-1-yl)-3-pyridinyl]-6-ethyl-1-[(3-fluorophenyl)methyl]indole-2-carboxamide
SMILESCCc1ccc2cc(C(=O)Nc3ccc(N4CCC4)nc3)n(Cc3cccc(F)c3)c2c1
InChIInChI=1S/C26H25FN4O/c1-2-18-7-8-20-15-24(31(23(20)14-18)17-19-5-3-6-21(27)13-19)26(32)29-22-9-10-25(28-16-22)30-11-4-12-30/h3,5-10,13-16H,2,4,11-12,17H2,1H3,(H,29,32)
InChIKeyBVFCWPFXXLQGJR-UHFFFAOYSA-N
XLogP5.25
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.51
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[6-(azetidin-1-yl)-3-pyridinyl]-6-ethyl-1-[(3-fluorophenyl)methyl]indole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[6-(azetidin-1-yl)-3-pyridinyl]-5-[ethyl(dimethyl)silyl]-1-[(3-fluorophenyl)methyl]indole-2-carboxamide
CID 66850271
1-[(3-fluorophenyl)methyl]-N-[6-(3-hydroxyazetidin-1-yl)-3-pyridinyl]-6-(trifluoromethyl)indole-2-carboxamide
CID 57431501
5-fluoro-1-[(3-fluorophenyl)methyl]-N-[6-(3-hydroxypyrrolidin-1-yl)-3-pyridinyl]indole-2-carboxamide
CID 57431515
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
5-fluoro-1-[(3-fluorophenyl)methyl]-N-(4-methoxy-6-pyrrolidin-1-yl-3-pyridinyl)indole-2-carboxamide
CID 57431495
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]-1-[(3-chlorophenyl)methyl]pyrrolo[2,3-b]pyridine-2-carboxamide
CID 66908073
N-[6-(azetidin-1-yl)-3-pyridinyl]-1-[(2-fluorophenyl)methyl]pyrrolo[2,3-c]pyridine-2-carboxamide
CID 66907802
1-[(3-fluorophenyl)methyl]-6-methyl-N-(2,7,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),6,9,11-tetraen-10-yl)indole-2-carboxamide
CID 66905317
N-[6-(azetidin-1-yl)-3-pyridinyl]-1-[(4-methylphenyl)methyl]-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine-2-carboxamide
CID 66907416
N-[6-(azetidin-1-yl)-3-pyridinyl]-1-[(4-fluorophenyl)methyl]-5-(trifluoromethyl)pyrrolo[3,2-b]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 87199145

Frequently Asked Questions

What is the IUPAC name of N-[6-(azetidin-1-yl)-3-pyridinyl]-6-ethyl-1-[(3-fluorophenyl)methyl]indole-2-carboxamide?
The IUPAC name of N-[6-(azetidin-1-yl)-3-pyridinyl]-6-ethyl-1-[(3-fluorophenyl)methyl]indole-2-carboxamide (CID 57431512) is N-[6-(azetidin-1-yl)-3-pyridinyl]-6-ethyl-1-[(3-fluorophenyl)methyl]indole-2-carboxamide.
What is the SMILES notation for N-[6-(azetidin-1-yl)-3-pyridinyl]-6-ethyl-1-[(3-fluorophenyl)methyl]indole-2-carboxamide?
The canonical SMILES for N-[6-(azetidin-1-yl)-3-pyridinyl]-6-ethyl-1-[(3-fluorophenyl)methyl]indole-2-carboxamide is CCc1ccc2cc(C(=O)Nc3ccc(N4CCC4)nc3)n(Cc3cccc(F)c3)c2c1.
What is the InChIKey of N-[6-(azetidin-1-yl)-3-pyridinyl]-6-ethyl-1-[(3-fluorophenyl)methyl]indole-2-carboxamide?
The InChIKey is BVFCWPFXXLQGJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN4O/c1-2-18-7-8-20-15-24(31(23(20)14-18)17-19-5-3-6-21(27)13-19)26(32)29-22-9-10-25(28-16-22)30-11-4-12-30/h3,5-10,13-16H,2,4,11-12,17H2,1H3,(H,29,32).
What are the key properties of N-[6-(azetidin-1-yl)-3-pyridinyl]-6-ethyl-1-[(3-fluorophenyl)methyl]indole-2-carboxamide?
N-[6-(azetidin-1-yl)-3-pyridinyl]-6-ethyl-1-[(3-fluorophenyl)methyl]indole-2-carboxamide has a molecular weight of 428.51 g/mol, XLogP of 5.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(azetidin-1-yl)-3-pyridinyl]-6-ethyl-1-[(3-fluorophenyl)methyl]indole-2-carboxamide is sourced from PubChem (CID 57431512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).