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

C22H21N5O2 — CID 58611966

IUPACethyl 6-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]imidazo[1,2-a]pyridine-2-carboxylate
SMILESCCOC(=O)c1cn2cc(-c3c(-c4cccc(C)n4)nn4c3CCC4)ccc2n1
InChIInChI=1S/C22H21N5O2/c1-3-29-22(28)17-13-26-12-15(9-10-19(26)24-17)20-18-8-5-11-27(18)25-21(20)16-7-4-6-14(2)23-16/h4,6-7,9-10,12-13H,3,5,8,11H2,1-2H3
InChIKeySTXTUZWYDPLOBA-UHFFFAOYSA-N
MW387.44 g/mol
LogP3.69
Rot. Bonds4

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

ethyl 6-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]imidazo[1,2-a]pyridine-2-carboxylate (PubChem CID 58611966) has the molecular formula C22H21N5O2 and a molecular weight of 387.44 g/mol. Its IUPAC name is ethyl 6-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]imidazo[1,2-a]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]imidazo[1,2-a]pyridine-2-carboxylate
PubChem CID58611966
Molecular FormulaC22H21N5O2
Molecular Weight387.44 g/mol
Exact Mass387.17
IUPAC Nameethyl 6-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]imidazo[1,2-a]pyridine-2-carboxylate
SMILESCCOC(=O)c1cn2cc(-c3c(-c4cccc(C)n4)nn4c3CCC4)ccc2n1
InChIInChI=1S/C22H21N5O2/c1-3-29-22(28)17-13-26-12-15(9-10-19(26)24-17)20-18-8-5-11-27(18)25-21(20)16-7-4-6-14(2)23-16/h4,6-7,9-10,12-13H,3,5,8,11H2,1-2H3
InChIKeySTXTUZWYDPLOBA-UHFFFAOYSA-N
XLogP3.69
TPSA74.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]imidazo[1,2-a]pyridine-2-carboxylate?
The IUPAC name of ethyl 6-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]imidazo[1,2-a]pyridine-2-carboxylate (CID 58611966) is ethyl 6-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]imidazo[1,2-a]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 6-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]imidazo[1,2-a]pyridine-2-carboxylate?
The canonical SMILES for ethyl 6-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]imidazo[1,2-a]pyridine-2-carboxylate is CCOC(=O)c1cn2cc(-c3c(-c4cccc(C)n4)nn4c3CCC4)ccc2n1.
What is the InChIKey of ethyl 6-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]imidazo[1,2-a]pyridine-2-carboxylate?
The InChIKey is STXTUZWYDPLOBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O2/c1-3-29-22(28)17-13-26-12-15(9-10-19(26)24-17)20-18-8-5-11-27(18)25-21(20)16-7-4-6-14(2)23-16/h4,6-7,9-10,12-13H,3,5,8,11H2,1-2H3.
What are the key properties of ethyl 6-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]imidazo[1,2-a]pyridine-2-carboxylate?
ethyl 6-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]imidazo[1,2-a]pyridine-2-carboxylate has a molecular weight of 387.44 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]imidazo[1,2-a]pyridine-2-carboxylate is sourced from PubChem (CID 58611966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).