1-[[6-cyclopropyl-8-(4-methoxycarbonylpyrazol-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid

C19H17N7O4 — CID 139487441

IUPAC1-[[6-cyclopropyl-8-(4-methoxycarbonylpyrazol-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid
SMILESCOC(=O)c1cnn(-c2cc(C3CC3)cn3cc(Cn4cc(C(=O)O)nn4)nc23)c1
InChIInChI=1S/C19H17N7O4/c1-30-19(29)13-5-20-26(7-13)16-4-12(11-2-3-11)6-24-8-14(21-17(16)24)9-25-10-15(18(27)28)22-23-25/h4-8,10-11H,2-3,9H2,1H3,(H,27,28)
InChIKeyWIOLGBZRAJNOEA-UHFFFAOYSA-N
MW407.39 g/mol
LogP1.52
Rot. Bonds6

About 1-[[6-cyclopropyl-8-(4-methoxycarbonylpyrazol-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid

1-[[6-cyclopropyl-8-(4-methoxycarbonylpyrazol-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid (PubChem CID 139487441) has the molecular formula C19H17N7O4 and a molecular weight of 407.39 g/mol. Its IUPAC name is 1-[[6-cyclopropyl-8-(4-methoxycarbonylpyrazol-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[[6-cyclopropyl-8-(4-methoxycarbonylpyrazol-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid
PubChem CID139487441
Molecular FormulaC19H17N7O4
Molecular Weight407.39 g/mol
Exact Mass407.13
IUPAC Name1-[[6-cyclopropyl-8-(4-methoxycarbonylpyrazol-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid
SMILESCOC(=O)c1cnn(-c2cc(C3CC3)cn3cc(Cn4cc(C(=O)O)nn4)nc23)c1
InChIInChI=1S/C19H17N7O4/c1-30-19(29)13-5-20-26(7-13)16-4-12(11-2-3-11)6-24-8-14(21-17(16)24)9-25-10-15(18(27)28)22-23-25/h4-8,10-11H,2-3,9H2,1H3,(H,27,28)
InChIKeyWIOLGBZRAJNOEA-UHFFFAOYSA-N
XLogP1.52
TPSA129.43 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.39
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 1-[[6-cyclopropyl-8-(4-methoxycarbonylpyrazol-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid?
The IUPAC name of 1-[[6-cyclopropyl-8-(4-methoxycarbonylpyrazol-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid (CID 139487441) is 1-[[6-cyclopropyl-8-(4-methoxycarbonylpyrazol-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid.
What is the SMILES notation for 1-[[6-cyclopropyl-8-(4-methoxycarbonylpyrazol-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid?
The canonical SMILES for 1-[[6-cyclopropyl-8-(4-methoxycarbonylpyrazol-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid is COC(=O)c1cnn(-c2cc(C3CC3)cn3cc(Cn4cc(C(=O)O)nn4)nc23)c1.
What is the InChIKey of 1-[[6-cyclopropyl-8-(4-methoxycarbonylpyrazol-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid?
The InChIKey is WIOLGBZRAJNOEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N7O4/c1-30-19(29)13-5-20-26(7-13)16-4-12(11-2-3-11)6-24-8-14(21-17(16)24)9-25-10-15(18(27)28)22-23-25/h4-8,10-11H,2-3,9H2,1H3,(H,27,28).
What are the key properties of 1-[[6-cyclopropyl-8-(4-methoxycarbonylpyrazol-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid?
1-[[6-cyclopropyl-8-(4-methoxycarbonylpyrazol-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid has a molecular weight of 407.39 g/mol, XLogP of 1.52, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-cyclopropyl-8-(4-methoxycarbonylpyrazol-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid is sourced from PubChem (CID 139487441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).