methyl 4-(5-benzyl-2-pyridin-2-ylpyrazolo[1,5-a]pyridin-3-yl)quinoline-7-carboxylate

C30H22N4O2 — CID 10050399

IUPACmethyl 4-(5-benzyl-2-pyridin-2-ylpyrazolo[1,5-a]pyridin-3-yl)quinoline-7-carboxylate
SMILESCOC(=O)c1ccc2c(-c3c(-c4ccccn4)nn4ccc(Cc5ccccc5)cc34)ccnc2c1
InChIInChI=1S/C30H22N4O2/c1-36-30(35)22-10-11-23-24(12-15-32-26(23)19-22)28-27-18-21(17-20-7-3-2-4-8-20)13-16-34(27)33-29(28)25-9-5-6-14-31-25/h2-16,18-19H,17H2,1H3
InChIKeyBGZMHPFHZHXHML-UHFFFAOYSA-N
MW470.53 g/mol
LogP5.99
Rot. Bonds5

About methyl 4-(5-benzyl-2-pyridin-2-ylpyrazolo[1,5-a]pyridin-3-yl)quinoline-7-carboxylate

methyl 4-(5-benzyl-2-pyridin-2-ylpyrazolo[1,5-a]pyridin-3-yl)quinoline-7-carboxylate (PubChem CID 10050399) has the molecular formula C30H22N4O2 and a molecular weight of 470.53 g/mol. Its IUPAC name is methyl 4-(5-benzyl-2-pyridin-2-ylpyrazolo[1,5-a]pyridin-3-yl)quinoline-7-carboxylate.

Molecular Properties

Compound Namemethyl 4-(5-benzyl-2-pyridin-2-ylpyrazolo[1,5-a]pyridin-3-yl)quinoline-7-carboxylate
PubChem CID10050399
Molecular FormulaC30H22N4O2
Molecular Weight470.53 g/mol
Exact Mass470.17
IUPAC Namemethyl 4-(5-benzyl-2-pyridin-2-ylpyrazolo[1,5-a]pyridin-3-yl)quinoline-7-carboxylate
SMILESCOC(=O)c1ccc2c(-c3c(-c4ccccn4)nn4ccc(Cc5ccccc5)cc34)ccnc2c1
InChIInChI=1S/C30H22N4O2/c1-36-30(35)22-10-11-23-24(12-15-32-26(23)19-22)28-27-18-21(17-20-7-3-2-4-8-20)13-16-34(27)33-29(28)25-9-5-6-14-31-25/h2-16,18-19H,17H2,1H3
InChIKeyBGZMHPFHZHXHML-UHFFFAOYSA-N
XLogP5.99
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.53
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(5-benzyl-2-pyridin-2-ylpyrazolo[1,5-a]pyridin-3-yl)quinoline-7-carboxylate?
The IUPAC name of methyl 4-(5-benzyl-2-pyridin-2-ylpyrazolo[1,5-a]pyridin-3-yl)quinoline-7-carboxylate (CID 10050399) is methyl 4-(5-benzyl-2-pyridin-2-ylpyrazolo[1,5-a]pyridin-3-yl)quinoline-7-carboxylate.
What is the SMILES notation for methyl 4-(5-benzyl-2-pyridin-2-ylpyrazolo[1,5-a]pyridin-3-yl)quinoline-7-carboxylate?
The canonical SMILES for methyl 4-(5-benzyl-2-pyridin-2-ylpyrazolo[1,5-a]pyridin-3-yl)quinoline-7-carboxylate is COC(=O)c1ccc2c(-c3c(-c4ccccn4)nn4ccc(Cc5ccccc5)cc34)ccnc2c1.
What is the InChIKey of methyl 4-(5-benzyl-2-pyridin-2-ylpyrazolo[1,5-a]pyridin-3-yl)quinoline-7-carboxylate?
The InChIKey is BGZMHPFHZHXHML-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22N4O2/c1-36-30(35)22-10-11-23-24(12-15-32-26(23)19-22)28-27-18-21(17-20-7-3-2-4-8-20)13-16-34(27)33-29(28)25-9-5-6-14-31-25/h2-16,18-19H,17H2,1H3.
What are the key properties of methyl 4-(5-benzyl-2-pyridin-2-ylpyrazolo[1,5-a]pyridin-3-yl)quinoline-7-carboxylate?
methyl 4-(5-benzyl-2-pyridin-2-ylpyrazolo[1,5-a]pyridin-3-yl)quinoline-7-carboxylate has a molecular weight of 470.53 g/mol, XLogP of 5.99, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(5-benzyl-2-pyridin-2-ylpyrazolo[1,5-a]pyridin-3-yl)quinoline-7-carboxylate is sourced from PubChem (CID 10050399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).