(3R)-1-(imidazo[1,2-a]pyridine-6-carbonyl)-3-methylpyrrolidine-3-carboxylic acid

C14H15N3O3 — CID 129397514

IUPAC(3R)-1-(imidazo[1,2-a]pyridine-6-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
SMILESC[C@@]1(C(=O)O)CCN(C(=O)c2ccc3nccn3c2)C1
InChIInChI=1S/C14H15N3O3/c1-14(13(19)20)4-6-17(9-14)12(18)10-2-3-11-15-5-7-16(11)8-10/h2-3,5,7-8H,4,6,9H2,1H3,(H,19,20)/t14-/m1/s1
InChIKeyBYISZBARPCCNHN-CQSZACIVSA-N
MW273.29 g/mol
LogP1.27
Rot. Bonds2

About (3R)-1-(imidazo[1,2-a]pyridine-6-carbonyl)-3-methylpyrrolidine-3-carboxylic acid

(3R)-1-(imidazo[1,2-a]pyridine-6-carbonyl)-3-methylpyrrolidine-3-carboxylic acid (PubChem CID 129397514) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is (3R)-1-(imidazo[1,2-a]pyridine-6-carbonyl)-3-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-(imidazo[1,2-a]pyridine-6-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
PubChem CID129397514
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name(3R)-1-(imidazo[1,2-a]pyridine-6-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
SMILESC[C@@]1(C(=O)O)CCN(C(=O)c2ccc3nccn3c2)C1
InChIInChI=1S/C14H15N3O3/c1-14(13(19)20)4-6-17(9-14)12(18)10-2-3-11-15-5-7-16(11)8-10/h2-3,5,7-8H,4,6,9H2,1H3,(H,19,20)/t14-/m1/s1
InChIKeyBYISZBARPCCNHN-CQSZACIVSA-N
XLogP1.27
TPSA74.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,7-diazaspiro[4.4]nonan-2-yl(imidazo[1,2-a]pyridin-6-yl)methanone
CID 110475124
[3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]-imidazo[1,2-a]pyridin-6-ylmethanone
CID 135108285
azepan-1-yl(imidazo[1,2-a]pyridin-6-yl)methanone
CID 110704027
3-methyl-1-(6-methylpyridine-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 63142818
(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-imidazo[1,2-a]pyridin-6-ylmethanone
CID 164690307
imidazo[1,2-a]pyridin-6-yl-[3-methyl-3-(2,2,2-trifluoroethyl)azetidin-1-yl]methanone
CID 122152246
1-(4-aminobenzoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 63144123
(3S)-3-methyl-1-(4-pyrazol-1-ylbenzoyl)pyrrolidine-3-carboxylic acid
CID 125148601
3-methyl-1-(4-pyridin-2-yloxybenzoyl)pyrrolidine-3-carboxylic acid
CID 154845457
3-methyl-1-(pyridine-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 63142817
1-(3,4-dimethylbenzoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 55166899
1-(4-ethylbenzoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 55164202

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(imidazo[1,2-a]pyridine-6-carbonyl)-3-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of (3R)-1-(imidazo[1,2-a]pyridine-6-carbonyl)-3-methylpyrrolidine-3-carboxylic acid (CID 129397514) is (3R)-1-(imidazo[1,2-a]pyridine-6-carbonyl)-3-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-(imidazo[1,2-a]pyridine-6-carbonyl)-3-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-(imidazo[1,2-a]pyridine-6-carbonyl)-3-methylpyrrolidine-3-carboxylic acid is C[C@@]1(C(=O)O)CCN(C(=O)c2ccc3nccn3c2)C1.
What is the InChIKey of (3R)-1-(imidazo[1,2-a]pyridine-6-carbonyl)-3-methylpyrrolidine-3-carboxylic acid?
The InChIKey is BYISZBARPCCNHN-CQSZACIVSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-14(13(19)20)4-6-17(9-14)12(18)10-2-3-11-15-5-7-16(11)8-10/h2-3,5,7-8H,4,6,9H2,1H3,(H,19,20)/t14-/m1/s1.
What are the key properties of (3R)-1-(imidazo[1,2-a]pyridine-6-carbonyl)-3-methylpyrrolidine-3-carboxylic acid?
(3R)-1-(imidazo[1,2-a]pyridine-6-carbonyl)-3-methylpyrrolidine-3-carboxylic acid has a molecular weight of 273.29 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(imidazo[1,2-a]pyridine-6-carbonyl)-3-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 129397514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).