2-[[4-(2-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)phenoxy]methyl]quinoline

C28H24N4O — CID 176514693

IUPAC2-[[4-(2-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)phenoxy]methyl]quinoline
SMILESc1ccc2nc(COc3ccc(-c4c(-c5ccncc5)nn5c4CCCC5)cc3)ccc2c1
InChIInChI=1S/C28H24N4O/c1-2-6-25-20(5-1)8-11-23(30-25)19-33-24-12-9-21(10-13-24)27-26-7-3-4-18-32(26)31-28(27)22-14-16-29-17-15-22/h1-2,5-6,8-17H,3-4,7,18-19H2
InChIKeyVCWJLYNRHWAZPP-UHFFFAOYSA-N
MW432.53 g/mol
LogP6.08
Rot. Bonds5

About 2-[[4-(2-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)phenoxy]methyl]quinoline

2-[[4-(2-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)phenoxy]methyl]quinoline (PubChem CID 176514693) has the molecular formula C28H24N4O and a molecular weight of 432.53 g/mol. Its IUPAC name is 2-[[4-(2-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)phenoxy]methyl]quinoline.

Molecular Properties

Compound Name2-[[4-(2-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)phenoxy]methyl]quinoline
PubChem CID176514693
Molecular FormulaC28H24N4O
Molecular Weight432.53 g/mol
Exact Mass432.20
IUPAC Name2-[[4-(2-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)phenoxy]methyl]quinoline
SMILESc1ccc2nc(COc3ccc(-c4c(-c5ccncc5)nn5c4CCCC5)cc3)ccc2c1
InChIInChI=1S/C28H24N4O/c1-2-6-25-20(5-1)8-11-23(30-25)19-33-24-12-9-21(10-13-24)27-26-7-3-4-18-32(26)31-28(27)22-14-16-29-17-15-22/h1-2,5-6,8-17H,3-4,7,18-19H2
InChIKeyVCWJLYNRHWAZPP-UHFFFAOYSA-N
XLogP6.08
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.53
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[[4-(2-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)phenoxy]methyl]quinoline with MolForge

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Related Compounds

2-pyridin-4-yl-3-[4-(pyridin-4-ylmethoxy)phenyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole
CID 176514670
2-[[4-(5-methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)phenoxy]methyl]quinoline
CID 11646834
2-[[4-(3-methyl-5-pyridin-4-yltriazol-4-yl)phenoxy]methyl]quinoline
CID 11538425
5-pyridin-4-yl-4-[4-(quinolin-2-ylmethoxy)phenyl]-1,3-oxazole
CID 11603302
3-pyridin-4-yl-2-[4-(quinolin-2-ylmethoxy)phenyl]benzonitrile
CID 44600240
4-pyridin-4-yl-7-(quinolin-2-ylmethoxy)quinazoline
CID 24944868
2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-5-yl)phenoxy]methyl]quinoline
CID 11668304
2-[[4-(2-pyridin-4-ylethynyl)phenoxy]methyl]quinoline
CID 59797507
butanedioic acid;2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]quinoline
CID 24857794
2-[4-pyridin-4-yl-3-[4-(quinolin-2-ylmethoxy)phenyl]pyrazol-1-yl]ethyl methanesulfonate
CID 58544885
ethyl 2-[4-pyridin-4-yl-3-[4-(quinolin-2-ylmethoxy)phenyl]pyrazol-1-yl]acetate
CID 167444594
2-[[4-(2-methyl-6-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)phenoxy]methyl]quinoline
CID 11662225

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)phenoxy]methyl]quinoline?
The IUPAC name of 2-[[4-(2-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)phenoxy]methyl]quinoline (CID 176514693) is 2-[[4-(2-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)phenoxy]methyl]quinoline.
What is the SMILES notation for 2-[[4-(2-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)phenoxy]methyl]quinoline?
The canonical SMILES for 2-[[4-(2-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)phenoxy]methyl]quinoline is c1ccc2nc(COc3ccc(-c4c(-c5ccncc5)nn5c4CCCC5)cc3)ccc2c1.
What is the InChIKey of 2-[[4-(2-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)phenoxy]methyl]quinoline?
The InChIKey is VCWJLYNRHWAZPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N4O/c1-2-6-25-20(5-1)8-11-23(30-25)19-33-24-12-9-21(10-13-24)27-26-7-3-4-18-32(26)31-28(27)22-14-16-29-17-15-22/h1-2,5-6,8-17H,3-4,7,18-19H2.
What are the key properties of 2-[[4-(2-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)phenoxy]methyl]quinoline?
2-[[4-(2-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)phenoxy]methyl]quinoline has a molecular weight of 432.53 g/mol, XLogP of 6.08, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)phenoxy]methyl]quinoline is sourced from PubChem (CID 176514693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).