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

C23H20N4O2 — CID 24776250

IUPACmethyl 4-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoline-6-carboxylate
SMILESCOC(=O)c1ccc2nccc(-c3c(-c4cccc(C)n4)nn4c3CCC4)c2c1
InChIInChI=1S/C23H20N4O2/c1-14-5-3-6-19(25-14)22-21(20-7-4-12-27(20)26-22)16-10-11-24-18-9-8-15(13-17(16)18)23(28)29-2/h3,5-6,8-11,13H,4,7,12H2,1-2H3
InChIKeyPYUBAZVUCQOMKF-UHFFFAOYSA-N
MW384.44 g/mol
LogP4.20
Rot. Bonds3

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

methyl 4-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoline-6-carboxylate (PubChem CID 24776250) has the molecular formula C23H20N4O2 and a molecular weight of 384.44 g/mol. Its IUPAC name is methyl 4-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoline-6-carboxylate.

Molecular Properties

Compound Namemethyl 4-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoline-6-carboxylate
PubChem CID24776250
Molecular FormulaC23H20N4O2
Molecular Weight384.44 g/mol
Exact Mass384.16
IUPAC Namemethyl 4-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoline-6-carboxylate
SMILESCOC(=O)c1ccc2nccc(-c3c(-c4cccc(C)n4)nn4c3CCC4)c2c1
InChIInChI=1S/C23H20N4O2/c1-14-5-3-6-19(25-14)22-21(20-7-4-12-27(20)26-22)16-10-11-24-18-9-8-15(13-17(16)18)23(28)29-2/h3,5-6,8-11,13H,4,7,12H2,1-2H3
InChIKeyPYUBAZVUCQOMKF-UHFFFAOYSA-N
XLogP4.20
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 4-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoline-6-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoline-6-carboxylate?
The IUPAC name of methyl 4-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoline-6-carboxylate (CID 24776250) is methyl 4-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoline-6-carboxylate.
What is the SMILES notation for methyl 4-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoline-6-carboxylate?
The canonical SMILES for methyl 4-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoline-6-carboxylate is COC(=O)c1ccc2nccc(-c3c(-c4cccc(C)n4)nn4c3CCC4)c2c1.
What is the InChIKey of methyl 4-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoline-6-carboxylate?
The InChIKey is PYUBAZVUCQOMKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O2/c1-14-5-3-6-19(25-14)22-21(20-7-4-12-27(20)26-22)16-10-11-24-18-9-8-15(13-17(16)18)23(28)29-2/h3,5-6,8-11,13H,4,7,12H2,1-2H3.
What are the key properties of methyl 4-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoline-6-carboxylate?
methyl 4-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoline-6-carboxylate has a molecular weight of 384.44 g/mol, XLogP of 4.20, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoline-6-carboxylate is sourced from PubChem (CID 24776250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).