ethyl 8-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxylate

C21H19N5O2 — CID 69203273

IUPACethyl 8-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1cnc2c(-c3c(-c4ccccn4)nn4c3CCC4)cccn12
InChIInChI=1S/C21H19N5O2/c1-2-28-21(27)17-13-23-20-14(7-5-11-25(17)20)18-16-9-6-12-26(16)24-19(18)15-8-3-4-10-22-15/h3-5,7-8,10-11,13H,2,6,9,12H2,1H3
InChIKeyDBPTWYMKAKWUEI-UHFFFAOYSA-N
MW373.42 g/mol
LogP3.38
Rot. Bonds4

About ethyl 8-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxylate

ethyl 8-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxylate (PubChem CID 69203273) has the molecular formula C21H19N5O2 and a molecular weight of 373.42 g/mol. Its IUPAC name is ethyl 8-(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 8-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxylate
PubChem CID69203273
Molecular FormulaC21H19N5O2
Molecular Weight373.42 g/mol
Exact Mass373.15
IUPAC Nameethyl 8-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1cnc2c(-c3c(-c4ccccn4)nn4c3CCC4)cccn12
InChIInChI=1S/C21H19N5O2/c1-2-28-21(27)17-13-23-20-14(7-5-11-25(17)20)18-16-9-6-12-26(16)24-19(18)15-8-3-4-10-22-15/h3-5,7-8,10-11,13H,2,6,9,12H2,1H3
InChIKeyDBPTWYMKAKWUEI-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

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Frequently Asked Questions

What is the IUPAC name of ethyl 8-(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 8-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxylate (CID 69203273) is ethyl 8-(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 8-(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 8-(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)c1cnc2c(-c3c(-c4ccccn4)nn4c3CCC4)cccn12.
What is the InChIKey of ethyl 8-(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 DBPTWYMKAKWUEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O2/c1-2-28-21(27)17-13-23-20-14(7-5-11-25(17)20)18-16-9-6-12-26(16)24-19(18)15-8-3-4-10-22-15/h3-5,7-8,10-11,13H,2,6,9,12H2,1H3.
What are the key properties of ethyl 8-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxylate?
ethyl 8-(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 8-(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 69203273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).