1-ethyl-5-[(2-phenylimidazo[1,2-a]pyridin-7-yl)carbamoyl]pyrazole-4-carboxylic acid

C20H17N5O3 — CID 67041914

IUPAC1-ethyl-5-[(2-phenylimidazo[1,2-a]pyridin-7-yl)carbamoyl]pyrazole-4-carboxylic acid
SMILESCCn1ncc(C(=O)O)c1C(=O)Nc1ccn2cc(-c3ccccc3)nc2c1
InChIInChI=1S/C20H17N5O3/c1-2-25-18(15(11-21-25)20(27)28)19(26)22-14-8-9-24-12-16(23-17(24)10-14)13-6-4-3-5-7-13/h3-12H,2H2,1H3,(H,22,26)(H,27,28)
InChIKeyKFOZXIQNWKZAKU-UHFFFAOYSA-N
MW375.39 g/mol
LogP3.17
Rot. Bonds5

About 1-ethyl-5-[(2-phenylimidazo[1,2-a]pyridin-7-yl)carbamoyl]pyrazole-4-carboxylic acid

1-ethyl-5-[(2-phenylimidazo[1,2-a]pyridin-7-yl)carbamoyl]pyrazole-4-carboxylic acid (PubChem CID 67041914) has the molecular formula C20H17N5O3 and a molecular weight of 375.39 g/mol. Its IUPAC name is 1-ethyl-5-[(2-phenylimidazo[1,2-a]pyridin-7-yl)carbamoyl]pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-ethyl-5-[(2-phenylimidazo[1,2-a]pyridin-7-yl)carbamoyl]pyrazole-4-carboxylic acid
PubChem CID67041914
Molecular FormulaC20H17N5O3
Molecular Weight375.39 g/mol
Exact Mass375.13
IUPAC Name1-ethyl-5-[(2-phenylimidazo[1,2-a]pyridin-7-yl)carbamoyl]pyrazole-4-carboxylic acid
SMILESCCn1ncc(C(=O)O)c1C(=O)Nc1ccn2cc(-c3ccccc3)nc2c1
InChIInChI=1S/C20H17N5O3/c1-2-25-18(15(11-21-25)20(27)28)19(26)22-14-8-9-24-12-16(23-17(24)10-14)13-6-4-3-5-7-13/h3-12H,2H2,1H3,(H,22,26)(H,27,28)
InChIKeyKFOZXIQNWKZAKU-UHFFFAOYSA-N
XLogP3.17
TPSA101.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.39
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-[(2-phenylimidazo[1,2-a]pyridin-7-yl)carbamoyl]pyrazole-4-carboxylic acid?
The IUPAC name of 1-ethyl-5-[(2-phenylimidazo[1,2-a]pyridin-7-yl)carbamoyl]pyrazole-4-carboxylic acid (CID 67041914) is 1-ethyl-5-[(2-phenylimidazo[1,2-a]pyridin-7-yl)carbamoyl]pyrazole-4-carboxylic acid.
What is the SMILES notation for 1-ethyl-5-[(2-phenylimidazo[1,2-a]pyridin-7-yl)carbamoyl]pyrazole-4-carboxylic acid?
The canonical SMILES for 1-ethyl-5-[(2-phenylimidazo[1,2-a]pyridin-7-yl)carbamoyl]pyrazole-4-carboxylic acid is CCn1ncc(C(=O)O)c1C(=O)Nc1ccn2cc(-c3ccccc3)nc2c1.
What is the InChIKey of 1-ethyl-5-[(2-phenylimidazo[1,2-a]pyridin-7-yl)carbamoyl]pyrazole-4-carboxylic acid?
The InChIKey is KFOZXIQNWKZAKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O3/c1-2-25-18(15(11-21-25)20(27)28)19(26)22-14-8-9-24-12-16(23-17(24)10-14)13-6-4-3-5-7-13/h3-12H,2H2,1H3,(H,22,26)(H,27,28).
What are the key properties of 1-ethyl-5-[(2-phenylimidazo[1,2-a]pyridin-7-yl)carbamoyl]pyrazole-4-carboxylic acid?
1-ethyl-5-[(2-phenylimidazo[1,2-a]pyridin-7-yl)carbamoyl]pyrazole-4-carboxylic acid has a molecular weight of 375.39 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-[(2-phenylimidazo[1,2-a]pyridin-7-yl)carbamoyl]pyrazole-4-carboxylic acid is sourced from PubChem (CID 67041914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).