7-[3-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-2-pyridinyl]quinoline

C25H20N4O — CID 137374115

IUPAC7-[3-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-2-pyridinyl]quinoline
SMILESCOc1ccc(Cn2cc(-c3cccnc3-c3ccc4cccnc4c3)cn2)cc1
InChIInChI=1S/C25H20N4O/c1-30-22-10-6-18(7-11-22)16-29-17-21(15-28-29)23-5-3-13-27-25(23)20-9-8-19-4-2-12-26-24(19)14-20/h2-15,17H,16H2,1H3
InChIKeyPGCACJLBHOXKDW-UHFFFAOYSA-N
MW392.46 g/mol
LogP5.22
Rot. Bonds5

About 7-[3-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-2-pyridinyl]quinoline

7-[3-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-2-pyridinyl]quinoline (PubChem CID 137374115) has the molecular formula C25H20N4O and a molecular weight of 392.46 g/mol. Its IUPAC name is 7-[3-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-2-pyridinyl]quinoline.

Molecular Properties

Compound Name7-[3-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-2-pyridinyl]quinoline
PubChem CID137374115
Molecular FormulaC25H20N4O
Molecular Weight392.46 g/mol
Exact Mass392.16
IUPAC Name7-[3-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-2-pyridinyl]quinoline
SMILESCOc1ccc(Cn2cc(-c3cccnc3-c3ccc4cccnc4c3)cn2)cc1
InChIInChI=1S/C25H20N4O/c1-30-22-10-6-18(7-11-22)16-29-17-21(15-28-29)23-5-3-13-27-25(23)20-9-8-19-4-2-12-26-24(19)14-20/h2-15,17H,16H2,1H3
InChIKeyPGCACJLBHOXKDW-UHFFFAOYSA-N
XLogP5.22
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.46
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[3-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-2-pyridinyl]quinoline?
The IUPAC name of 7-[3-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-2-pyridinyl]quinoline (CID 137374115) is 7-[3-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-2-pyridinyl]quinoline.
What is the SMILES notation for 7-[3-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-2-pyridinyl]quinoline?
The canonical SMILES for 7-[3-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-2-pyridinyl]quinoline is COc1ccc(Cn2cc(-c3cccnc3-c3ccc4cccnc4c3)cn2)cc1.
What is the InChIKey of 7-[3-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-2-pyridinyl]quinoline?
The InChIKey is PGCACJLBHOXKDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4O/c1-30-22-10-6-18(7-11-22)16-29-17-21(15-28-29)23-5-3-13-27-25(23)20-9-8-19-4-2-12-26-24(19)14-20/h2-15,17H,16H2,1H3.
What are the key properties of 7-[3-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-2-pyridinyl]quinoline?
7-[3-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-2-pyridinyl]quinoline has a molecular weight of 392.46 g/mol, XLogP of 5.22, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-2-pyridinyl]quinoline is sourced from PubChem (CID 137374115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).