1-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-methylpyrrole-3-carboxylic acid

C14H13N3O2 — CID 114189454

IUPAC1-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-methylpyrrole-3-carboxylic acid
SMILESCc1c(C(=O)O)ccn1Cc1cn2ccccc2n1
InChIInChI=1S/C14H13N3O2/c1-10-12(14(18)19)5-7-16(10)8-11-9-17-6-3-2-4-13(17)15-11/h2-7,9H,8H2,1H3,(H,18,19)
InChIKeyUAFRVHWYYFSKKL-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.19
Rot. Bonds3

About 1-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-methylpyrrole-3-carboxylic acid

1-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-methylpyrrole-3-carboxylic acid (PubChem CID 114189454) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 1-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-methylpyrrole-3-carboxylic acid.

Molecular Properties

Compound Name1-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-methylpyrrole-3-carboxylic acid
PubChem CID114189454
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC Name1-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-methylpyrrole-3-carboxylic acid
SMILESCc1c(C(=O)O)ccn1Cc1cn2ccccc2n1
InChIInChI=1S/C14H13N3O2/c1-10-12(14(18)19)5-7-16(10)8-11-9-17-6-3-2-4-13(17)15-11/h2-7,9H,8H2,1H3,(H,18,19)
InChIKeyUAFRVHWYYFSKKL-UHFFFAOYSA-N
XLogP2.19
TPSA59.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-2-methylbenzoic acid
CID 82810212
ethane;imidazo[1,2-a]pyridin-2-ylmethanol
CID 91126513
ethyl 2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]acetate
CID 134031725
2-[(6-bromoindol-1-yl)methyl]imidazo[1,2-a]pyridine
CID 116621897
1-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-methylpyrrolidine-3-carboxylic acid
CID 63721961
ethyl 1-(imidazo[1,2-a]pyridin-2-ylmethyl)piperidine-4-carboxylate
CID 53171810
2-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrrol-2-yl]ethanamine
CID 66404225
2-(2,2-dimethylpropyl)imidazo[1,2-a]pyridine
CID 59380864
3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methylbenzoic acid
CID 60698887
(2S)-2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 92764804
3-(imidazo[1,2-a]pyridin-2-ylmethoxy)pyridine-4-carboxylic acid
CID 81445806
1-(imidazo[1,2-a]pyridin-2-ylmethyl)piperidine-3-carboxylic acid
CID 43385952

Frequently Asked Questions

What is the IUPAC name of 1-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-methylpyrrole-3-carboxylic acid?
The IUPAC name of 1-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-methylpyrrole-3-carboxylic acid (CID 114189454) is 1-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-methylpyrrole-3-carboxylic acid.
What is the SMILES notation for 1-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-methylpyrrole-3-carboxylic acid?
The canonical SMILES for 1-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-methylpyrrole-3-carboxylic acid is Cc1c(C(=O)O)ccn1Cc1cn2ccccc2n1.
What is the InChIKey of 1-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-methylpyrrole-3-carboxylic acid?
The InChIKey is UAFRVHWYYFSKKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2/c1-10-12(14(18)19)5-7-16(10)8-11-9-17-6-3-2-4-13(17)15-11/h2-7,9H,8H2,1H3,(H,18,19).
What are the key properties of 1-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-methylpyrrole-3-carboxylic acid?
1-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-methylpyrrole-3-carboxylic acid has a molecular weight of 255.28 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-methylpyrrole-3-carboxylic acid is sourced from PubChem (CID 114189454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).