2-[4-(azepan-1-yl)butoxy]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine

C17H29N3O — CID 71711401

IUPAC2-[4-(azepan-1-yl)butoxy]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
SMILESc1c(OCCCCN2CCCCCC2)nn2c1CCCC2
InChIInChI=1S/C17H29N3O/c1-2-5-11-19(10-4-1)12-7-8-14-21-17-15-16-9-3-6-13-20(16)18-17/h15H,1-14H2
InChIKeyASCCSZMGKIYWLD-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.25
Rot. Bonds6

About 2-[4-(azepan-1-yl)butoxy]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine

2-[4-(azepan-1-yl)butoxy]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine (PubChem CID 71711401) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 2-[4-(azepan-1-yl)butoxy]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name2-[4-(azepan-1-yl)butoxy]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
PubChem CID71711401
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name2-[4-(azepan-1-yl)butoxy]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
SMILESc1c(OCCCCN2CCCCCC2)nn2c1CCCC2
InChIInChI=1S/C17H29N3O/c1-2-5-11-19(10-4-1)12-7-8-14-21-17-15-16-9-3-6-13-20(16)18-17/h15H,1-14H2
InChIKeyASCCSZMGKIYWLD-UHFFFAOYSA-N
XLogP3.25
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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;(Z)-but-2-enedioic acid
CID 71711400
2-[4-(azepan-1-yl)butoxy]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;1-hydroperoxyperoxybut-2-yne
CID 157397448
(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
N,N-diethyl-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yloxy)butan-1-amine
CID 71711276
(Z)-but-2-enedioic acid;N-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yloxy)butyl]adamantan-2-amine
CID 134607217
2-[4-(azepan-1-yl)butoxy]pyrazolo[1,5-a]pyridine
CID 71712215
7-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yloxy)ethyl]-1,4,10-trioxa-7-azaspiro[4.5]decane-2,3-dione
CID 140665214
1-[4-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethoxy)butyl]piperazin-1-yl]ethanone
CID 123849625
4-methyl-6-(4-piperidin-1-ylbutoxy)pyrimidine
CID 142664562
methane;2-(4-piperidin-1-ylbutoxy)pyrazolo[1,5-a]pyridine
CID 158648204
6-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yloxymethyl)pyridine-3-carbonitrile
CID 53392102

Frequently Asked Questions

What is the IUPAC name of 2-[4-(azepan-1-yl)butoxy]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine?
The IUPAC name of 2-[4-(azepan-1-yl)butoxy]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine (CID 71711401) is 2-[4-(azepan-1-yl)butoxy]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine.
What is the SMILES notation for 2-[4-(azepan-1-yl)butoxy]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine?
The canonical SMILES for 2-[4-(azepan-1-yl)butoxy]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine is c1c(OCCCCN2CCCCCC2)nn2c1CCCC2.
What is the InChIKey of 2-[4-(azepan-1-yl)butoxy]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine?
The InChIKey is ASCCSZMGKIYWLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-2-5-11-19(10-4-1)12-7-8-14-21-17-15-16-9-3-6-13-20(16)18-17/h15H,1-14H2.
What are the key properties of 2-[4-(azepan-1-yl)butoxy]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine?
2-[4-(azepan-1-yl)butoxy]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine has a molecular weight of 291.44 g/mol, XLogP of 3.25, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(azepan-1-yl)butoxy]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine is sourced from PubChem (CID 71711401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).