2-(4-aminopiperidin-1-yl)-5-[2-[(E)-2-(4-fluorophenyl)ethenyl]-4-pyridinyl]-1H-pyrrole-3-carboxamide

C23H24FN5O — CID 24961190

IUPAC2-(4-aminopiperidin-1-yl)-5-[2-[(E)-2-(4-fluorophenyl)ethenyl]-4-pyridinyl]-1H-pyrrole-3-carboxamide
SMILESNC(=O)c1cc(-c2ccnc(/C=C/c3ccc(F)cc3)c2)[nH]c1N1CCC(N)CC1
InChIInChI=1S/C23H24FN5O/c24-17-4-1-15(2-5-17)3-6-19-13-16(7-10-27-19)21-14-20(22(26)30)23(28-21)29-11-8-18(25)9-12-29/h1-7,10,13-14,18,28H,8-9,11-12,25H2,(H2,26,30)/b6-3+
InChIKeyQFOBIDODWZTXPF-ZZXKWVIFSA-N
MW405.48 g/mol
LogP3.41
Rot. Bonds5

About 2-(4-aminopiperidin-1-yl)-5-[2-[(E)-2-(4-fluorophenyl)ethenyl]-4-pyridinyl]-1H-pyrrole-3-carboxamide

2-(4-aminopiperidin-1-yl)-5-[2-[(E)-2-(4-fluorophenyl)ethenyl]-4-pyridinyl]-1H-pyrrole-3-carboxamide (PubChem CID 24961190) has the molecular formula C23H24FN5O and a molecular weight of 405.48 g/mol. Its IUPAC name is 2-(4-aminopiperidin-1-yl)-5-[2-[(E)-2-(4-fluorophenyl)ethenyl]-4-pyridinyl]-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name2-(4-aminopiperidin-1-yl)-5-[2-[(E)-2-(4-fluorophenyl)ethenyl]-4-pyridinyl]-1H-pyrrole-3-carboxamide
PubChem CID24961190
Molecular FormulaC23H24FN5O
Molecular Weight405.48 g/mol
Exact Mass405.20
IUPAC Name2-(4-aminopiperidin-1-yl)-5-[2-[(E)-2-(4-fluorophenyl)ethenyl]-4-pyridinyl]-1H-pyrrole-3-carboxamide
SMILESNC(=O)c1cc(-c2ccnc(/C=C/c3ccc(F)cc3)c2)[nH]c1N1CCC(N)CC1
InChIInChI=1S/C23H24FN5O/c24-17-4-1-15(2-5-17)3-6-19-13-16(7-10-27-19)21-14-20(22(26)30)23(28-21)29-11-8-18(25)9-12-29/h1-7,10,13-14,18,28H,8-9,11-12,25H2,(H2,26,30)/b6-3+
InChIKeyQFOBIDODWZTXPF-ZZXKWVIFSA-N
XLogP3.41
TPSA101.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-(4-aminopiperidin-1-yl)-5-[2-[(E)-2-(4-fluorophenyl)ethenyl]-4-pyridinyl]-1H-pyrrole-3-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

BPKDi
CID 46901383
2-(4-(6-((3R,5S)-3,5-dimethylpiperazin-1-yl)-4-methylpyridin-3-yl)phenyl)-7-methyl-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one
CID 135905416
2-(2-(2-Fluorophenyl)pyridin-4-YL)-1,5,6,7-tetrahydro-4H-pyrrolo(3,2-C)pyridin-4-one
CID 11992146
(7S)-2-(2-aminopyrimidin-4-yl)-7-(2-fluoroethyl)-1,5,6,7-tetrahydro-4H-pyrrolo[3,2-c]pyridin-4-one
CID 16757525
Piperazine, 1-((6-fluoro-1H-indol-2-yl)carbonyl)-4-(3-((1-methylethyl)amino)-2-pyridinyl)-
CID 453391
Dipyridodiazepinone deriv. 41
CID 463561
Dipyridodiazepinone deriv. 42
CID 463562
Dipyridodiazepinone deriv. 43
CID 463563
2-Ethyl-13-[2-(3-fluorophenyl)ethyl]-9-methyl-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3(8),4,6,11,13-hexaen-10-one
CID 470738
2-ethyl-9-methyl-13-(2-phenylethyl)-5-(1H-pyrrol-2-yl)-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3(8),4,6,11,13-hexaen-10-one
CID 470743
2-(pyrimidin-4-yl)-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 11149391
2-(2-aminopyrimidin-4-yl)-7-phenyl-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 11210036

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminopiperidin-1-yl)-5-[2-[(E)-2-(4-fluorophenyl)ethenyl]-4-pyridinyl]-1H-pyrrole-3-carboxamide?
The IUPAC name of 2-(4-aminopiperidin-1-yl)-5-[2-[(E)-2-(4-fluorophenyl)ethenyl]-4-pyridinyl]-1H-pyrrole-3-carboxamide (CID 24961190) is 2-(4-aminopiperidin-1-yl)-5-[2-[(E)-2-(4-fluorophenyl)ethenyl]-4-pyridinyl]-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 2-(4-aminopiperidin-1-yl)-5-[2-[(E)-2-(4-fluorophenyl)ethenyl]-4-pyridinyl]-1H-pyrrole-3-carboxamide?
The canonical SMILES for 2-(4-aminopiperidin-1-yl)-5-[2-[(E)-2-(4-fluorophenyl)ethenyl]-4-pyridinyl]-1H-pyrrole-3-carboxamide is NC(=O)c1cc(-c2ccnc(/C=C/c3ccc(F)cc3)c2)[nH]c1N1CCC(N)CC1.
What is the InChIKey of 2-(4-aminopiperidin-1-yl)-5-[2-[(E)-2-(4-fluorophenyl)ethenyl]-4-pyridinyl]-1H-pyrrole-3-carboxamide?
The InChIKey is QFOBIDODWZTXPF-ZZXKWVIFSA-N. The full InChI is InChI=1S/C23H24FN5O/c24-17-4-1-15(2-5-17)3-6-19-13-16(7-10-27-19)21-14-20(22(26)30)23(28-21)29-11-8-18(25)9-12-29/h1-7,10,13-14,18,28H,8-9,11-12,25H2,(H2,26,30)/b6-3+.
What are the key properties of 2-(4-aminopiperidin-1-yl)-5-[2-[(E)-2-(4-fluorophenyl)ethenyl]-4-pyridinyl]-1H-pyrrole-3-carboxamide?
2-(4-aminopiperidin-1-yl)-5-[2-[(E)-2-(4-fluorophenyl)ethenyl]-4-pyridinyl]-1H-pyrrole-3-carboxamide has a molecular weight of 405.48 g/mol, XLogP of 3.41, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminopiperidin-1-yl)-5-[2-[(E)-2-(4-fluorophenyl)ethenyl]-4-pyridinyl]-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 24961190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).