6-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]imidazo[1,2-a]pyridine-3-carboxylic acid

C20H17N5O2 — CID 69202291

IUPAC6-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]imidazo[1,2-a]pyridine-3-carboxylic acid
SMILESCc1cccc(-c2nn3c(c2-c2ccc4ncc(C(=O)O)n4c2)CCC3)n1
InChIInChI=1S/C20H17N5O2/c1-12-4-2-5-14(22-12)19-18(15-6-3-9-25(15)23-19)13-7-8-17-21-10-16(20(26)27)24(17)11-13/h2,4-5,7-8,10-11H,3,6,9H2,1H3,(H,26,27)
InChIKeyIOBZQIUPRLVZGZ-UHFFFAOYSA-N
MW359.39 g/mol
LogP3.21
Rot. Bonds3

About 6-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]imidazo[1,2-a]pyridine-3-carboxylic acid

6-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]imidazo[1,2-a]pyridine-3-carboxylic acid (PubChem CID 69202291) has the molecular formula C20H17N5O2 and a molecular weight of 359.39 g/mol. Its IUPAC name is 6-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]imidazo[1,2-a]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]imidazo[1,2-a]pyridine-3-carboxylic acid
PubChem CID69202291
Molecular FormulaC20H17N5O2
Molecular Weight359.39 g/mol
Exact Mass359.14
IUPAC Name6-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]imidazo[1,2-a]pyridine-3-carboxylic acid
SMILESCc1cccc(-c2nn3c(c2-c2ccc4ncc(C(=O)O)n4c2)CCC3)n1
InChIInChI=1S/C20H17N5O2/c1-12-4-2-5-14(22-12)19-18(15-6-3-9-25(15)23-19)13-7-8-17-21-10-16(20(26)27)24(17)11-13/h2,4-5,7-8,10-11H,3,6,9H2,1H3,(H,26,27)
InChIKeyIOBZQIUPRLVZGZ-UHFFFAOYSA-N
XLogP3.21
TPSA85.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]imidazo[1,2-a]pyridine-3-carboxylic acid?
The IUPAC name of 6-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]imidazo[1,2-a]pyridine-3-carboxylic acid (CID 69202291) is 6-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]imidazo[1,2-a]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]imidazo[1,2-a]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]imidazo[1,2-a]pyridine-3-carboxylic acid is Cc1cccc(-c2nn3c(c2-c2ccc4ncc(C(=O)O)n4c2)CCC3)n1.
What is the InChIKey of 6-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]imidazo[1,2-a]pyridine-3-carboxylic acid?
The InChIKey is IOBZQIUPRLVZGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O2/c1-12-4-2-5-14(22-12)19-18(15-6-3-9-25(15)23-19)13-7-8-17-21-10-16(20(26)27)24(17)11-13/h2,4-5,7-8,10-11H,3,6,9H2,1H3,(H,26,27).
What are the key properties of 6-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]imidazo[1,2-a]pyridine-3-carboxylic acid?
6-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]imidazo[1,2-a]pyridine-3-carboxylic acid has a molecular weight of 359.39 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]imidazo[1,2-a]pyridine-3-carboxylic acid is sourced from PubChem (CID 69202291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).