ethyl 1-(cyclopropylmethyl)-5-(quinolin-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate

C23H26N4O2 — CID 26224136

IUPACethyl 1-(cyclopropylmethyl)-5-(quinolin-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
SMILESCCOC(=O)c1nn(CC2CC2)c2c1CN(Cc1ccnc3ccccc13)CC2
InChIInChI=1S/C23H26N4O2/c1-2-29-23(28)22-19-15-26(12-10-21(19)27(25-22)13-16-7-8-16)14-17-9-11-24-20-6-4-3-5-18(17)20/h3-6,9,11,16H,2,7-8,10,12-15H2,1H3
InChIKeyJVOXVUUVFNVKLA-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.58
Rot. Bonds6

About ethyl 1-(cyclopropylmethyl)-5-(quinolin-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate

ethyl 1-(cyclopropylmethyl)-5-(quinolin-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate (PubChem CID 26224136) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is ethyl 1-(cyclopropylmethyl)-5-(quinolin-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(cyclopropylmethyl)-5-(quinolin-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
PubChem CID26224136
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Nameethyl 1-(cyclopropylmethyl)-5-(quinolin-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
SMILESCCOC(=O)c1nn(CC2CC2)c2c1CN(Cc1ccnc3ccccc13)CC2
InChIInChI=1S/C23H26N4O2/c1-2-29-23(28)22-19-15-26(12-10-21(19)27(25-22)13-16-7-8-16)14-17-9-11-24-20-6-4-3-5-18(17)20/h3-6,9,11,16H,2,7-8,10,12-15H2,1H3
InChIKeyJVOXVUUVFNVKLA-UHFFFAOYSA-N
XLogP3.58
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 1-(cyclopropylmethyl)-5-(quinolin-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(cyclopropylmethyl)-5-(quinolin-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate?
The IUPAC name of ethyl 1-(cyclopropylmethyl)-5-(quinolin-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate (CID 26224136) is ethyl 1-(cyclopropylmethyl)-5-(quinolin-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 1-(cyclopropylmethyl)-5-(quinolin-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate?
The canonical SMILES for ethyl 1-(cyclopropylmethyl)-5-(quinolin-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate is CCOC(=O)c1nn(CC2CC2)c2c1CN(Cc1ccnc3ccccc13)CC2.
What is the InChIKey of ethyl 1-(cyclopropylmethyl)-5-(quinolin-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate?
The InChIKey is JVOXVUUVFNVKLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-2-29-23(28)22-19-15-26(12-10-21(19)27(25-22)13-16-7-8-16)14-17-9-11-24-20-6-4-3-5-18(17)20/h3-6,9,11,16H,2,7-8,10,12-15H2,1H3.
What are the key properties of ethyl 1-(cyclopropylmethyl)-5-(quinolin-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate?
ethyl 1-(cyclopropylmethyl)-5-(quinolin-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate has a molecular weight of 390.49 g/mol, XLogP of 3.58, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(cyclopropylmethyl)-5-(quinolin-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate is sourced from PubChem (CID 26224136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).