[6-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2,3-dihydropyrrolo[3,2-b]pyridin-1-yl]-[2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]methanone

C25H24FN7O — CID 176905754

IUPAC[6-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2,3-dihydropyrrolo[3,2-b]pyridin-1-yl]-[2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]methanone
SMILESCC1CC(c2cccc(F)c2)N(C(=O)N2CCc3ncc(-c4ccn5nc(N)nc5c4)cc32)C1
InChIInChI=1S/C25H24FN7O/c1-15-9-21(17-3-2-4-19(26)10-17)32(14-15)25(34)31-7-6-20-22(31)11-18(13-28-20)16-5-8-33-23(12-16)29-24(27)30-33/h2-5,8,10-13,15,21H,6-7,9,14H2,1H3,(H2,27,30)
InChIKeyWATRXAJQLWJIFT-UHFFFAOYSA-N
MW457.51 g/mol
LogP4.08
Rot. Bonds2

About [6-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2,3-dihydropyrrolo[3,2-b]pyridin-1-yl]-[2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]methanone

[6-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2,3-dihydropyrrolo[3,2-b]pyridin-1-yl]-[2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]methanone (PubChem CID 176905754) has the molecular formula C25H24FN7O and a molecular weight of 457.51 g/mol. Its IUPAC name is [6-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2,3-dihydropyrrolo[3,2-b]pyridin-1-yl]-[2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[6-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2,3-dihydropyrrolo[3,2-b]pyridin-1-yl]-[2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]methanone
PubChem CID176905754
Molecular FormulaC25H24FN7O
Molecular Weight457.51 g/mol
Exact Mass457.20
IUPAC Name[6-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2,3-dihydropyrrolo[3,2-b]pyridin-1-yl]-[2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]methanone
SMILESCC1CC(c2cccc(F)c2)N(C(=O)N2CCc3ncc(-c4ccn5nc(N)nc5c4)cc32)C1
InChIInChI=1S/C25H24FN7O/c1-15-9-21(17-3-2-4-19(26)10-17)32(14-15)25(34)31-7-6-20-22(31)11-18(13-28-20)16-5-8-33-23(12-16)29-24(27)30-33/h2-5,8,10-13,15,21H,6-7,9,14H2,1H3,(H2,27,30)
InChIKeyWATRXAJQLWJIFT-UHFFFAOYSA-N
XLogP4.08
TPSA92.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.51
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [6-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2,3-dihydropyrrolo[3,2-b]pyridin-1-yl]-[2-(3-fluorophenyl)-4-methylpyrrolidin-1-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

(2R)-2-amino-1-[2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]propan-1-one
CID 119329386
2-amino-1-[2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]ethanone
CID 119329380
2-amino-1-[2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]ethanone;hydrochloride
CID 119329379
2-(3-fluorophenyl)-N,4-dimethylpyrrolidine-1-carboxamide
CID 136528712
1-[(2R,4S)-2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]-3-methylsulfonylpropan-1-one
CID 95979608
4-[2-(3-fluorophenyl)-4-methylpyrrolidine-1-carbonyl]pyridine-2-carboxylic acid
CID 120692128
1-[2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]-2-(methylamino)ethanone;hydrochloride
CID 119793860
6-[2-(3-fluorophenyl)-4-methylpyrrolidine-1-carbonyl]-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one
CID 154838786
7-amino-1-[2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]heptan-1-one;hydrochloride
CID 119793846
1-[2-[(2S,4S)-2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]-2-oxoethyl]triazole-4-carboxylic acid
CID 129469988
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]methanone;hydrochloride
CID 120794067
7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 82556367

Frequently Asked Questions

What is the IUPAC name of [6-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2,3-dihydropyrrolo[3,2-b]pyridin-1-yl]-[2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]methanone?
The IUPAC name of [6-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2,3-dihydropyrrolo[3,2-b]pyridin-1-yl]-[2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]methanone (CID 176905754) is [6-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2,3-dihydropyrrolo[3,2-b]pyridin-1-yl]-[2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]methanone.
What is the SMILES notation for [6-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2,3-dihydropyrrolo[3,2-b]pyridin-1-yl]-[2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]methanone?
The canonical SMILES for [6-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2,3-dihydropyrrolo[3,2-b]pyridin-1-yl]-[2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]methanone is CC1CC(c2cccc(F)c2)N(C(=O)N2CCc3ncc(-c4ccn5nc(N)nc5c4)cc32)C1.
What is the InChIKey of [6-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2,3-dihydropyrrolo[3,2-b]pyridin-1-yl]-[2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]methanone?
The InChIKey is WATRXAJQLWJIFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN7O/c1-15-9-21(17-3-2-4-19(26)10-17)32(14-15)25(34)31-7-6-20-22(31)11-18(13-28-20)16-5-8-33-23(12-16)29-24(27)30-33/h2-5,8,10-13,15,21H,6-7,9,14H2,1H3,(H2,27,30).
What are the key properties of [6-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2,3-dihydropyrrolo[3,2-b]pyridin-1-yl]-[2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]methanone?
[6-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2,3-dihydropyrrolo[3,2-b]pyridin-1-yl]-[2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]methanone has a molecular weight of 457.51 g/mol, XLogP of 4.08, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2,3-dihydropyrrolo[3,2-b]pyridin-1-yl]-[2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]methanone is sourced from PubChem (CID 176905754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).