[4-amino-5-[N-(4-fluoro-3,5-dimethylphenyl)-C-methylcarbonimidoyl]-3,6-dihydro-2H-pyridin-1-yl]-(1H-indol-2-yl)methanone

C24H25FN4O — CID 177320741

IUPAC[4-amino-5-[N-(4-fluoro-3,5-dimethylphenyl)-C-methylcarbonimidoyl]-3,6-dihydro-2H-pyridin-1-yl]-(1H-indol-2-yl)methanone
SMILESC/C(=N\c1cc(C)c(F)c(C)c1)C1=C(N)CCN(C(=O)c2cc3ccccc3[nH]2)C1
InChIInChI=1S/C24H25FN4O/c1-14-10-18(11-15(2)23(14)25)27-16(3)19-13-29(9-8-20(19)26)24(30)22-12-17-6-4-5-7-21(17)28-22/h4-7,10-12,28H,8-9,13,26H2,1-3H3/b27-16+
InChIKeyYFVSHINEDVZRRU-JVWAILMASA-N
MW404.49 g/mol
LogP4.78
Rot. Bonds3

About [4-amino-5-[N-(4-fluoro-3,5-dimethylphenyl)-C-methylcarbonimidoyl]-3,6-dihydro-2H-pyridin-1-yl]-(1H-indol-2-yl)methanone

[4-amino-5-[N-(4-fluoro-3,5-dimethylphenyl)-C-methylcarbonimidoyl]-3,6-dihydro-2H-pyridin-1-yl]-(1H-indol-2-yl)methanone (PubChem CID 177320741) has the molecular formula C24H25FN4O and a molecular weight of 404.49 g/mol. Its IUPAC name is [4-amino-5-[N-(4-fluoro-3,5-dimethylphenyl)-C-methylcarbonimidoyl]-3,6-dihydro-2H-pyridin-1-yl]-(1H-indol-2-yl)methanone.

Molecular Properties

Compound Name[4-amino-5-[N-(4-fluoro-3,5-dimethylphenyl)-C-methylcarbonimidoyl]-3,6-dihydro-2H-pyridin-1-yl]-(1H-indol-2-yl)methanone
PubChem CID177320741
Molecular FormulaC24H25FN4O
Molecular Weight404.49 g/mol
Exact Mass404.20
IUPAC Name[4-amino-5-[N-(4-fluoro-3,5-dimethylphenyl)-C-methylcarbonimidoyl]-3,6-dihydro-2H-pyridin-1-yl]-(1H-indol-2-yl)methanone
SMILESC/C(=N\c1cc(C)c(F)c(C)c1)C1=C(N)CCN(C(=O)c2cc3ccccc3[nH]2)C1
InChIInChI=1S/C24H25FN4O/c1-14-10-18(11-15(2)23(14)25)27-16(3)19-13-29(9-8-20(19)26)24(30)22-12-17-6-4-5-7-21(17)28-22/h4-7,10-12,28H,8-9,13,26H2,1-3H3/b27-16+
InChIKeyYFVSHINEDVZRRU-JVWAILMASA-N
XLogP4.78
TPSA74.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze [4-amino-5-[N-(4-fluoro-3,5-dimethylphenyl)-C-methylcarbonimidoyl]-3,6-dihydro-2H-pyridin-1-yl]-(1H-indol-2-yl)methanone 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

(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(1H-indol-2-yl)methanone
CID 27515136
1H-indol-2-yl(piperazin-1-yl)methanone;hydrochloride
CID 47003021
1H-indol-2-yl-(4-methylpiperazin-1-yl)methanone;hydrochloride
CID 134120748
1H-indol-2-yl-(1-oxo-1,4-thiazinan-4-yl)methanone
CID 54975611
N-[1-(1H-indole-2-carbonyl)piperidin-4-yl]acetamide
CID 49349124
1H-indol-2-yl(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone
CID 139328420
(4,4-difluoropiperidin-1-yl)-(1H-indol-2-yl)methanone
CID 68887703
(4,4-dimethylpiperidin-1-yl)-(1H-indol-2-yl)methanone
CID 55155671
4-(1H-indole-2-carbonyl)-N,N-dimethylpiperazine-1-carboxamide
CID 34224299
1H-indol-2-yl(morpholin-4-yl)methanone
CID 825286
(3-aminoazetidin-1-yl)-(1H-indol-2-yl)methanone
CID 65244567
(2S)-2-amino-1-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-3,3-dimethylbutan-1-one
CID 119767401

Frequently Asked Questions

What is the IUPAC name of [4-amino-5-[N-(4-fluoro-3,5-dimethylphenyl)-C-methylcarbonimidoyl]-3,6-dihydro-2H-pyridin-1-yl]-(1H-indol-2-yl)methanone?
The IUPAC name of [4-amino-5-[N-(4-fluoro-3,5-dimethylphenyl)-C-methylcarbonimidoyl]-3,6-dihydro-2H-pyridin-1-yl]-(1H-indol-2-yl)methanone (CID 177320741) is [4-amino-5-[N-(4-fluoro-3,5-dimethylphenyl)-C-methylcarbonimidoyl]-3,6-dihydro-2H-pyridin-1-yl]-(1H-indol-2-yl)methanone.
What is the SMILES notation for [4-amino-5-[N-(4-fluoro-3,5-dimethylphenyl)-C-methylcarbonimidoyl]-3,6-dihydro-2H-pyridin-1-yl]-(1H-indol-2-yl)methanone?
The canonical SMILES for [4-amino-5-[N-(4-fluoro-3,5-dimethylphenyl)-C-methylcarbonimidoyl]-3,6-dihydro-2H-pyridin-1-yl]-(1H-indol-2-yl)methanone is C/C(=N\c1cc(C)c(F)c(C)c1)C1=C(N)CCN(C(=O)c2cc3ccccc3[nH]2)C1.
What is the InChIKey of [4-amino-5-[N-(4-fluoro-3,5-dimethylphenyl)-C-methylcarbonimidoyl]-3,6-dihydro-2H-pyridin-1-yl]-(1H-indol-2-yl)methanone?
The InChIKey is YFVSHINEDVZRRU-JVWAILMASA-N. The full InChI is InChI=1S/C24H25FN4O/c1-14-10-18(11-15(2)23(14)25)27-16(3)19-13-29(9-8-20(19)26)24(30)22-12-17-6-4-5-7-21(17)28-22/h4-7,10-12,28H,8-9,13,26H2,1-3H3/b27-16+.
What are the key properties of [4-amino-5-[N-(4-fluoro-3,5-dimethylphenyl)-C-methylcarbonimidoyl]-3,6-dihydro-2H-pyridin-1-yl]-(1H-indol-2-yl)methanone?
[4-amino-5-[N-(4-fluoro-3,5-dimethylphenyl)-C-methylcarbonimidoyl]-3,6-dihydro-2H-pyridin-1-yl]-(1H-indol-2-yl)methanone has a molecular weight of 404.49 g/mol, XLogP of 4.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-5-[N-(4-fluoro-3,5-dimethylphenyl)-C-methylcarbonimidoyl]-3,6-dihydro-2H-pyridin-1-yl]-(1H-indol-2-yl)methanone is sourced from PubChem (CID 177320741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).