(3S,4S)-1-(imidazo[1,5-a]pyridine-6-carbonyl)-4-methylpyrrolidine-3-carboxylic acid

C14H15N3O3 — CID 122112133

IUPAC(3S,4S)-1-(imidazo[1,5-a]pyridine-6-carbonyl)-4-methylpyrrolidine-3-carboxylic acid
SMILESC[C@@H]1CN(C(=O)c2ccc3cncn3c2)C[C@H]1C(=O)O
InChIInChI=1S/C14H15N3O3/c1-9-5-16(7-12(9)14(19)20)13(18)10-2-3-11-4-15-8-17(11)6-10/h2-4,6,8-9,12H,5,7H2,1H3,(H,19,20)/t9-,12-/m1/s1
InChIKeyWPPNPPADIITRBJ-BXKDBHETSA-N
MW273.29 g/mol
LogP1.13
Rot. Bonds2

About (3S,4S)-1-(imidazo[1,5-a]pyridine-6-carbonyl)-4-methylpyrrolidine-3-carboxylic acid

(3S,4S)-1-(imidazo[1,5-a]pyridine-6-carbonyl)-4-methylpyrrolidine-3-carboxylic acid (PubChem CID 122112133) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is (3S,4S)-1-(imidazo[1,5-a]pyridine-6-carbonyl)-4-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S,4S)-1-(imidazo[1,5-a]pyridine-6-carbonyl)-4-methylpyrrolidine-3-carboxylic acid
PubChem CID122112133
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name(3S,4S)-1-(imidazo[1,5-a]pyridine-6-carbonyl)-4-methylpyrrolidine-3-carboxylic acid
SMILESC[C@@H]1CN(C(=O)c2ccc3cncn3c2)C[C@H]1C(=O)O
InChIInChI=1S/C14H15N3O3/c1-9-5-16(7-12(9)14(19)20)13(18)10-2-3-11-4-15-8-17(11)6-10/h2-4,6,8-9,12H,5,7H2,1H3,(H,19,20)/t9-,12-/m1/s1
InChIKeyWPPNPPADIITRBJ-BXKDBHETSA-N
XLogP1.13
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 ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3R)-1-(imidazo[1,5-a]pyridine-6-carbonyl)-2-methylpiperidine-3-carboxylic acid
CID 122116730
4-methyl-1-(pyrimidine-5-carbonyl)pyrrolidine-3-carboxylic acid
CID 102921512
4-methyl-1-(6-methylpyridine-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 63721715
4-methyl-1-(pyridine-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 55225730
(3S,4S)-1-(6-chloropyridine-3-carbonyl)-4-methylpyrrolidine-3-carboxylic acid
CID 114085428
1-(6-chloropyridine-3-carbonyl)-4-methylpyrrolidine-3-carboxylic acid
CID 63722081
(3S,4S)-4-methyl-1-[4-(1,3-oxazol-5-yl)benzoyl]pyrrolidine-3-carboxylic acid
CID 120952551
(3S,4S)-4-methyl-1-(4-phenylbenzoyl)pyrrolidine-3-carboxylic acid
CID 120952873
(3S,4S)-4-methyl-1-[4-(3-methylpyrazol-1-yl)benzoyl]pyrrolidine-3-carboxylic acid
CID 120953061
(3S,4S)-4-methyl-1-(4-morpholin-4-ylbenzoyl)pyrrolidine-3-carboxylic acid
CID 120952745
(3S,4S)-1-[4-(cyclopropylmethoxy)benzoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 120952218
(3S,4S)-4-methyl-1-[1-(2-methylphenyl)pyrazole-4-carbonyl]pyrrolidine-3-carboxylic acid
CID 120953540

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-1-(imidazo[1,5-a]pyridine-6-carbonyl)-4-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of (3S,4S)-1-(imidazo[1,5-a]pyridine-6-carbonyl)-4-methylpyrrolidine-3-carboxylic acid (CID 122112133) is (3S,4S)-1-(imidazo[1,5-a]pyridine-6-carbonyl)-4-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3S,4S)-1-(imidazo[1,5-a]pyridine-6-carbonyl)-4-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for (3S,4S)-1-(imidazo[1,5-a]pyridine-6-carbonyl)-4-methylpyrrolidine-3-carboxylic acid is C[C@@H]1CN(C(=O)c2ccc3cncn3c2)C[C@H]1C(=O)O.
What is the InChIKey of (3S,4S)-1-(imidazo[1,5-a]pyridine-6-carbonyl)-4-methylpyrrolidine-3-carboxylic acid?
The InChIKey is WPPNPPADIITRBJ-BXKDBHETSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-9-5-16(7-12(9)14(19)20)13(18)10-2-3-11-4-15-8-17(11)6-10/h2-4,6,8-9,12H,5,7H2,1H3,(H,19,20)/t9-,12-/m1/s1.
What are the key properties of (3S,4S)-1-(imidazo[1,5-a]pyridine-6-carbonyl)-4-methylpyrrolidine-3-carboxylic acid?
(3S,4S)-1-(imidazo[1,5-a]pyridine-6-carbonyl)-4-methylpyrrolidine-3-carboxylic acid has a molecular weight of 273.29 g/mol, XLogP of 1.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-1-(imidazo[1,5-a]pyridine-6-carbonyl)-4-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 122112133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).