(3-methoxyphenyl)-[4-(pyrazolo[1,5-a]pyridin-2-ylmethyl)piperazin-1-yl]methanone

C20H22N4O2 — CID 90571382

IUPAC(3-methoxyphenyl)-[4-(pyrazolo[1,5-a]pyridin-2-ylmethyl)piperazin-1-yl]methanone
SMILESCOc1cccc(C(=O)N2CCN(Cc3cc4ccccn4n3)CC2)c1
InChIInChI=1S/C20H22N4O2/c1-26-19-7-4-5-16(13-19)20(25)23-11-9-22(10-12-23)15-17-14-18-6-2-3-8-24(18)21-17/h2-8,13-14H,9-12,15H2,1H3
InChIKeyRUSJLHTYPYMUNX-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.30
Rot. Bonds4

About (3-methoxyphenyl)-[4-(pyrazolo[1,5-a]pyridin-2-ylmethyl)piperazin-1-yl]methanone

(3-methoxyphenyl)-[4-(pyrazolo[1,5-a]pyridin-2-ylmethyl)piperazin-1-yl]methanone (PubChem CID 90571382) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is (3-methoxyphenyl)-[4-(pyrazolo[1,5-a]pyridin-2-ylmethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-methoxyphenyl)-[4-(pyrazolo[1,5-a]pyridin-2-ylmethyl)piperazin-1-yl]methanone
PubChem CID90571382
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name(3-methoxyphenyl)-[4-(pyrazolo[1,5-a]pyridin-2-ylmethyl)piperazin-1-yl]methanone
SMILESCOc1cccc(C(=O)N2CCN(Cc3cc4ccccn4n3)CC2)c1
InChIInChI=1S/C20H22N4O2/c1-26-19-7-4-5-16(13-19)20(25)23-11-9-22(10-12-23)15-17-14-18-6-2-3-8-24(18)21-17/h2-8,13-14H,9-12,15H2,1H3
InChIKeyRUSJLHTYPYMUNX-UHFFFAOYSA-N
XLogP2.30
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(pyrazolo[1,5-a]pyridin-2-ylmethyl)piperazine-1-carbonyl]benzonitrile
CID 90571532
[4-(pyrazolo[1,5-a]pyridin-2-ylmethyl)piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 90571422
(3-methoxyphenyl)-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 780195
2-(4-ethoxyphenoxy)-1-[4-(pyrazolo[1,5-a]pyridin-2-ylmethyl)piperazin-1-yl]ethanone
CID 90571442
(3-methoxyphenyl)-[4-(pyridine-3-carbonyl)piperazin-1-yl]methanone
CID 712550
[4-(1-benzylpiperidin-4-yl)piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 1360916
[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 8624049
[3-(difluoromethoxy)phenyl]-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 19297405
[4-(3-aminopropyl)piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 28705903
(3-methoxyphenyl)-[4-(piperidin-4-ylmethyl)piperazin-1-yl]methanone
CID 119930350
[4-[(3-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-(3-methylphenyl)methanone
CID 134001201
[4-[[(1S,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 7354682

Frequently Asked Questions

What is the IUPAC name of (3-methoxyphenyl)-[4-(pyrazolo[1,5-a]pyridin-2-ylmethyl)piperazin-1-yl]methanone?
The IUPAC name of (3-methoxyphenyl)-[4-(pyrazolo[1,5-a]pyridin-2-ylmethyl)piperazin-1-yl]methanone (CID 90571382) is (3-methoxyphenyl)-[4-(pyrazolo[1,5-a]pyridin-2-ylmethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (3-methoxyphenyl)-[4-(pyrazolo[1,5-a]pyridin-2-ylmethyl)piperazin-1-yl]methanone?
The canonical SMILES for (3-methoxyphenyl)-[4-(pyrazolo[1,5-a]pyridin-2-ylmethyl)piperazin-1-yl]methanone is COc1cccc(C(=O)N2CCN(Cc3cc4ccccn4n3)CC2)c1.
What is the InChIKey of (3-methoxyphenyl)-[4-(pyrazolo[1,5-a]pyridin-2-ylmethyl)piperazin-1-yl]methanone?
The InChIKey is RUSJLHTYPYMUNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-26-19-7-4-5-16(13-19)20(25)23-11-9-22(10-12-23)15-17-14-18-6-2-3-8-24(18)21-17/h2-8,13-14H,9-12,15H2,1H3.
What are the key properties of (3-methoxyphenyl)-[4-(pyrazolo[1,5-a]pyridin-2-ylmethyl)piperazin-1-yl]methanone?
(3-methoxyphenyl)-[4-(pyrazolo[1,5-a]pyridin-2-ylmethyl)piperazin-1-yl]methanone has a molecular weight of 350.42 g/mol, XLogP of 2.30, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxyphenyl)-[4-(pyrazolo[1,5-a]pyridin-2-ylmethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 90571382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).