ethyl 6-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxylate

C21H19N5O2 — CID 58611951

IUPACethyl 6-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1cnc2ccc(-c3c(-c4ccccn4)nn4c3CCC4)cn12
InChIInChI=1S/C21H19N5O2/c1-2-28-21(27)17-12-23-18-9-8-14(13-25(17)18)19-16-7-5-11-26(16)24-20(19)15-6-3-4-10-22-15/h3-4,6,8-10,12-13H,2,5,7,11H2,1H3
InChIKeyMSMUWANNHBSXPG-UHFFFAOYSA-N
MW373.42 g/mol
LogP3.38
Rot. Bonds4

About ethyl 6-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxylate

ethyl 6-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxylate (PubChem CID 58611951) has the molecular formula C21H19N5O2 and a molecular weight of 373.42 g/mol. Its IUPAC name is ethyl 6-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxylate
PubChem CID58611951
Molecular FormulaC21H19N5O2
Molecular Weight373.42 g/mol
Exact Mass373.15
IUPAC Nameethyl 6-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1cnc2ccc(-c3c(-c4ccccn4)nn4c3CCC4)cn12
InChIInChI=1S/C21H19N5O2/c1-2-28-21(27)17-12-23-18-9-8-14(13-25(17)18)19-16-7-5-11-26(16)24-20(19)15-6-3-4-10-22-15/h3-4,6,8-10,12-13H,2,5,7,11H2,1H3
InChIKeyMSMUWANNHBSXPG-UHFFFAOYSA-N
XLogP3.38
TPSA74.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl 6-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxylate?
The IUPAC name of ethyl 6-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxylate (CID 58611951) is ethyl 6-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxylate?
The canonical SMILES for ethyl 6-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxylate is CCOC(=O)c1cnc2ccc(-c3c(-c4ccccn4)nn4c3CCC4)cn12.
What is the InChIKey of ethyl 6-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxylate?
The InChIKey is MSMUWANNHBSXPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O2/c1-2-28-21(27)17-12-23-18-9-8-14(13-25(17)18)19-16-7-5-11-26(16)24-20(19)15-6-3-4-10-22-15/h3-4,6,8-10,12-13H,2,5,7,11H2,1H3.
What are the key properties of ethyl 6-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxylate?
ethyl 6-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxylate has a molecular weight of 373.42 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxylate is sourced from PubChem (CID 58611951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).