1-[4-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethoxy)butyl]piperazin-1-yl]ethanone

C18H30N4O2 — CID 123849625

IUPAC1-[4-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethoxy)butyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(CCCCOCc2cc3n(n2)CCCC3)CC1
InChIInChI=1S/C18H30N4O2/c1-16(23)21-11-9-20(10-12-21)7-4-5-13-24-15-17-14-18-6-2-3-8-22(18)19-17/h14H,2-13,15H2,1H3
InChIKeyOWSAOZWWFDHICW-UHFFFAOYSA-N
MW334.46 g/mol
LogP1.68
Rot. Bonds7

About 1-[4-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethoxy)butyl]piperazin-1-yl]ethanone

1-[4-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethoxy)butyl]piperazin-1-yl]ethanone (PubChem CID 123849625) has the molecular formula C18H30N4O2 and a molecular weight of 334.46 g/mol. Its IUPAC name is 1-[4-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethoxy)butyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethoxy)butyl]piperazin-1-yl]ethanone
PubChem CID123849625
Molecular FormulaC18H30N4O2
Molecular Weight334.46 g/mol
Exact Mass334.24
IUPAC Name1-[4-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethoxy)butyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(CCCCOCc2cc3n(n2)CCCC3)CC1
InChIInChI=1S/C18H30N4O2/c1-16(23)21-11-9-20(10-12-21)7-4-5-13-24-15-17-14-18-6-2-3-8-22(18)19-17/h14H,2-13,15H2,1H3
InChIKeyOWSAOZWWFDHICW-UHFFFAOYSA-N
XLogP1.68
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[4-(azepan-1-yl)butoxy]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
CID 71711401
2-[4-(azepan-1-yl)butoxy]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;(Z)-but-2-enedioic acid
CID 71711400
1-[4-[2-[[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]methoxy]ethyl]piperazin-1-yl]ethanone
CID 54673482
1-[4-[2-[[1-(3,4-difluorophenyl)-5-methylpyrazol-3-yl]methoxy]ethyl]piperazin-1-yl]ethanone
CID 54673647
4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethanamine
CID 53397595
1-[4-[2-[[1-(3,4-difluorophenyl)pyrazol-3-yl]methoxy]ethyl]piperazin-1-yl]ethanone;ethane
CID 142375217
4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethanamine;dihydrochloride
CID 122156683
(Z)-but-2-enedioic acid;4-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yloxy)butyl]-1,4-oxazepane
CID 71711523
3-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yloxy)butyl]-7,12-dioxa-6λ4-thia-3-azaspiro[5.6]dodec-9-ene-8,11-dione
CID 140665244
2-[4-(azepan-1-yl)butoxy]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;1-hydroperoxyperoxybut-2-yne
CID 157397448
2-chloro-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethyl)acetamide
CID 167840631
methyl 4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylate
CID 118705226

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethoxy)butyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethoxy)butyl]piperazin-1-yl]ethanone (CID 123849625) is 1-[4-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethoxy)butyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethoxy)butyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethoxy)butyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(CCCCOCc2cc3n(n2)CCCC3)CC1.
What is the InChIKey of 1-[4-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethoxy)butyl]piperazin-1-yl]ethanone?
The InChIKey is OWSAOZWWFDHICW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O2/c1-16(23)21-11-9-20(10-12-21)7-4-5-13-24-15-17-14-18-6-2-3-8-22(18)19-17/h14H,2-13,15H2,1H3.
What are the key properties of 1-[4-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethoxy)butyl]piperazin-1-yl]ethanone?
1-[4-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethoxy)butyl]piperazin-1-yl]ethanone has a molecular weight of 334.46 g/mol, XLogP of 1.68, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethoxy)butyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 123849625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).