2-[(6-chloro-2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetic acid

C16H16ClN5O3 — CID 50955909

IUPAC2-[(6-chloro-2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetic acid
SMILESCc1n[nH]c(C)c1C(NC(=O)c1c(C)nc2ccc(Cl)cn12)C(=O)O
InChIInChI=1S/C16H16ClN5O3/c1-7-12(8(2)21-20-7)13(16(24)25)19-15(23)14-9(3)18-11-5-4-10(17)6-22(11)14/h4-6,13H,1-3H3,(H,19,23)(H,20,21)(H,24,25)
InChIKeyOSWCABDLQMKHHH-UHFFFAOYSA-N
MW361.79 g/mol
LogP2.19
Rot. Bonds4

About 2-[(6-chloro-2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetic acid

2-[(6-chloro-2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetic acid (PubChem CID 50955909) has the molecular formula C16H16ClN5O3 and a molecular weight of 361.79 g/mol. Its IUPAC name is 2-[(6-chloro-2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetic acid.

Molecular Properties

Compound Name2-[(6-chloro-2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetic acid
PubChem CID50955909
Molecular FormulaC16H16ClN5O3
Molecular Weight361.79 g/mol
Exact Mass361.09
IUPAC Name2-[(6-chloro-2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetic acid
SMILESCc1n[nH]c(C)c1C(NC(=O)c1c(C)nc2ccc(Cl)cn12)C(=O)O
InChIInChI=1S/C16H16ClN5O3/c1-7-12(8(2)21-20-7)13(16(24)25)19-15(23)14-9(3)18-11-5-4-10(17)6-22(11)14/h4-6,13H,1-3H3,(H,19,23)(H,20,21)(H,24,25)
InChIKeyOSWCABDLQMKHHH-UHFFFAOYSA-N
XLogP2.19
TPSA112.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.79
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetic acid?
The IUPAC name of 2-[(6-chloro-2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetic acid (CID 50955909) is 2-[(6-chloro-2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetic acid.
What is the SMILES notation for 2-[(6-chloro-2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetic acid?
The canonical SMILES for 2-[(6-chloro-2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetic acid is Cc1n[nH]c(C)c1C(NC(=O)c1c(C)nc2ccc(Cl)cn12)C(=O)O.
What is the InChIKey of 2-[(6-chloro-2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetic acid?
The InChIKey is OSWCABDLQMKHHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN5O3/c1-7-12(8(2)21-20-7)13(16(24)25)19-15(23)14-9(3)18-11-5-4-10(17)6-22(11)14/h4-6,13H,1-3H3,(H,19,23)(H,20,21)(H,24,25).
What are the key properties of 2-[(6-chloro-2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetic acid?
2-[(6-chloro-2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetic acid has a molecular weight of 361.79 g/mol, XLogP of 2.19, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetic acid is sourced from PubChem (CID 50955909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).