7-[1-(4-pyrrolidin-1-ylbutyl)imidazol-2-yl]pyrazolo[1,5-a]pyridine

C18H23N5 — CID 155505782

IUPAC7-[1-(4-pyrrolidin-1-ylbutyl)imidazol-2-yl]pyrazolo[1,5-a]pyridine
SMILESc1cc(-c2nccn2CCCCN2CCCC2)n2nccc2c1
InChIInChI=1S/C18H23N5/c1-2-12-21(11-1)13-3-4-14-22-15-10-19-18(22)17-7-5-6-16-8-9-20-23(16)17/h5-10,15H,1-4,11-14H2
InChIKeyUMEJHYVMKKRXNO-UHFFFAOYSA-N
MW309.42 g/mol
LogP3.07
Rot. Bonds6

About 7-[1-(4-pyrrolidin-1-ylbutyl)imidazol-2-yl]pyrazolo[1,5-a]pyridine

7-[1-(4-pyrrolidin-1-ylbutyl)imidazol-2-yl]pyrazolo[1,5-a]pyridine (PubChem CID 155505782) has the molecular formula C18H23N5 and a molecular weight of 309.42 g/mol. Its IUPAC name is 7-[1-(4-pyrrolidin-1-ylbutyl)imidazol-2-yl]pyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name7-[1-(4-pyrrolidin-1-ylbutyl)imidazol-2-yl]pyrazolo[1,5-a]pyridine
PubChem CID155505782
Molecular FormulaC18H23N5
Molecular Weight309.42 g/mol
Exact Mass309.20
IUPAC Name7-[1-(4-pyrrolidin-1-ylbutyl)imidazol-2-yl]pyrazolo[1,5-a]pyridine
SMILESc1cc(-c2nccn2CCCCN2CCCC2)n2nccc2c1
InChIInChI=1S/C18H23N5/c1-2-12-21(11-1)13-3-4-14-22-15-10-19-18(22)17-7-5-6-16-8-9-20-23(16)17/h5-10,15H,1-4,11-14H2
InChIKeyUMEJHYVMKKRXNO-UHFFFAOYSA-N
XLogP3.07
TPSA38.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.42
LogP ≤ 53.07
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

Savolitinib
CID 68289010
Adipiplon
CID 11198924
5,8-Dimethyl-2-[2-(2-phenyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine
CID 90024886
1-phenyl-1H-imidazo[4,5-c]pyridine
CID 5328473
5,8-Dimethyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine
CID 44537944
N-{6-[(2s)-2-Methylpyrrolidin-1-Yl]pyridin-2-Yl}-6-Phenylimidazo[1,2-B]pyridazin-8-Amine
CID 71525988
US10399985, Example 20
CID 118278203
5,7-Dimethyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 44547515
5,8-Dimethyl-2-(2-(1-methyl-4-phenyl-1H-imidazol-2-yl)ethyl)(1,2,4)triazolo(1,5-a)pyridine
CID 44547965
2-Methyl-7-(2-pyridinyl)pyrazolo[1,5-a]pyrimidine
CID 610950
1-cyclopentyl-3-(H-imidazo[1,2-a]pyridin-7-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 24905148
3-[2-[(3S)-3-fluoropyrrolidin-1-yl]pyrimidin-4-yl]pyrazolo[1,5-b]pyridazine
CID 138454306

Frequently Asked Questions

What is the IUPAC name of 7-[1-(4-pyrrolidin-1-ylbutyl)imidazol-2-yl]pyrazolo[1,5-a]pyridine?
The IUPAC name of 7-[1-(4-pyrrolidin-1-ylbutyl)imidazol-2-yl]pyrazolo[1,5-a]pyridine (CID 155505782) is 7-[1-(4-pyrrolidin-1-ylbutyl)imidazol-2-yl]pyrazolo[1,5-a]pyridine.
What is the SMILES notation for 7-[1-(4-pyrrolidin-1-ylbutyl)imidazol-2-yl]pyrazolo[1,5-a]pyridine?
The canonical SMILES for 7-[1-(4-pyrrolidin-1-ylbutyl)imidazol-2-yl]pyrazolo[1,5-a]pyridine is c1cc(-c2nccn2CCCCN2CCCC2)n2nccc2c1.
What is the InChIKey of 7-[1-(4-pyrrolidin-1-ylbutyl)imidazol-2-yl]pyrazolo[1,5-a]pyridine?
The InChIKey is UMEJHYVMKKRXNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5/c1-2-12-21(11-1)13-3-4-14-22-15-10-19-18(22)17-7-5-6-16-8-9-20-23(16)17/h5-10,15H,1-4,11-14H2.
What are the key properties of 7-[1-(4-pyrrolidin-1-ylbutyl)imidazol-2-yl]pyrazolo[1,5-a]pyridine?
7-[1-(4-pyrrolidin-1-ylbutyl)imidazol-2-yl]pyrazolo[1,5-a]pyridine has a molecular weight of 309.42 g/mol, XLogP of 3.07, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-(4-pyrrolidin-1-ylbutyl)imidazol-2-yl]pyrazolo[1,5-a]pyridine is sourced from PubChem (CID 155505782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).