(2S)-1-[[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]carbamoyl]pyrrolidine-2-carboxylic acid

C19H17F3N6O3 — CID 59251886

IUPAC(2S)-1-[[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]carbamoyl]pyrrolidine-2-carboxylic acid
SMILESNc1ncc(-c2ccc3nc(NC(=O)N4CCC[C@H]4C(=O)O)cn3c2)cc1C(F)(F)F
InChIInChI=1S/C19H17F3N6O3/c20-19(21,22)12-6-11(7-24-16(12)23)10-3-4-15-25-14(9-27(15)8-10)26-18(31)28-5-1-2-13(28)17(29)30/h3-4,6-9,13H,1-2,5H2,(H2,23,24)(H,26,31)(H,29,30)/t13-/m0/s1
InChIKeyYACZWVCCRAQOPH-ZDUSSCGKSA-N
MW434.38 g/mol
LogP3.08
Rot. Bonds3

About (2S)-1-[[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]carbamoyl]pyrrolidine-2-carboxylic acid

(2S)-1-[[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]carbamoyl]pyrrolidine-2-carboxylic acid (PubChem CID 59251886) has the molecular formula C19H17F3N6O3 and a molecular weight of 434.38 g/mol. Its IUPAC name is (2S)-1-[[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]carbamoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-[[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]carbamoyl]pyrrolidine-2-carboxylic acid
PubChem CID59251886
Molecular FormulaC19H17F3N6O3
Molecular Weight434.38 g/mol
Exact Mass434.13
IUPAC Name(2S)-1-[[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]carbamoyl]pyrrolidine-2-carboxylic acid
SMILESNc1ncc(-c2ccc3nc(NC(=O)N4CCC[C@H]4C(=O)O)cn3c2)cc1C(F)(F)F
InChIInChI=1S/C19H17F3N6O3/c20-19(21,22)12-6-11(7-24-16(12)23)10-3-4-15-25-14(9-27(15)8-10)26-18(31)28-5-1-2-13(28)17(29)30/h3-4,6-9,13H,1-2,5H2,(H2,23,24)(H,26,31)(H,29,30)/t13-/m0/s1
InChIKeyYACZWVCCRAQOPH-ZDUSSCGKSA-N
XLogP3.08
TPSA125.85 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.38
LogP ≤ 53.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (2S)-1-[[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]carbamoyl]pyrrolidine-2-carboxylic acid 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-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]-2-(methoxymethyl)pyrrolidine-1-carboxamide
CID 68528559
N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]-2-(pyridin-2-ylmethyl)pyrrolidine-1-carboxamide
CID 59251839
N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]-2-(methylamino)acetamide
CID 59251961
N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]but-2-enamide
CID 68528343
N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]-4-fluorobenzamide
CID 59252002
N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]-3-fluorobenzamide
CID 59251812
N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]-6-piperazin-1-ylpyridine-3-carboxamide
CID 59252069
N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]-6-(methylamino)hexanamide
CID 71171122
N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]-5-(carbamoylamino)pentanamide;ethane
CID 143527821
1-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]-3-[2-(2-propan-2-yltetrazol-5-yl)ethyl]urea
CID 23649353
N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-2-yl]propanamide
CID 59252057
N-[6-(6-amino-3-pyridinyl)imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide
CID 155082189

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]carbamoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-[[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]carbamoyl]pyrrolidine-2-carboxylic acid (CID 59251886) is (2S)-1-[[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]carbamoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-[[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]carbamoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-[[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]carbamoyl]pyrrolidine-2-carboxylic acid is Nc1ncc(-c2ccc3nc(NC(=O)N4CCC[C@H]4C(=O)O)cn3c2)cc1C(F)(F)F.
What is the InChIKey of (2S)-1-[[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]carbamoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is YACZWVCCRAQOPH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H17F3N6O3/c20-19(21,22)12-6-11(7-24-16(12)23)10-3-4-15-25-14(9-27(15)8-10)26-18(31)28-5-1-2-13(28)17(29)30/h3-4,6-9,13H,1-2,5H2,(H2,23,24)(H,26,31)(H,29,30)/t13-/m0/s1.
What are the key properties of (2S)-1-[[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]carbamoyl]pyrrolidine-2-carboxylic acid?
(2S)-1-[[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]carbamoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 434.38 g/mol, XLogP of 3.08, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]carbamoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 59251886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).