2-[2-[5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]ethyl]-6-azaspiro[2.5]octane

C19H26N4 — CID 163496008

IUPAC2-[2-[5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]ethyl]-6-azaspiro[2.5]octane
SMILESCc1nn(C)cc1-c1ccc(CCC2CC23CCNCC3)nc1
InChIInChI=1S/C19H26N4/c1-14-18(13-23(2)22-14)15-3-5-17(21-12-15)6-4-16-11-19(16)7-9-20-10-8-19/h3,5,12-13,16,20H,4,6-11H2,1-2H3
InChIKeyWNSWKKQQZCEELW-UHFFFAOYSA-N
MW310.44 g/mol
LogP3.11
Rot. Bonds4

About 2-[2-[5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]ethyl]-6-azaspiro[2.5]octane

2-[2-[5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]ethyl]-6-azaspiro[2.5]octane (PubChem CID 163496008) has the molecular formula C19H26N4 and a molecular weight of 310.44 g/mol. Its IUPAC name is 2-[2-[5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]ethyl]-6-azaspiro[2.5]octane.

Molecular Properties

Compound Name2-[2-[5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]ethyl]-6-azaspiro[2.5]octane
PubChem CID163496008
Molecular FormulaC19H26N4
Molecular Weight310.44 g/mol
Exact Mass310.22
IUPAC Name2-[2-[5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]ethyl]-6-azaspiro[2.5]octane
SMILESCc1nn(C)cc1-c1ccc(CCC2CC23CCNCC3)nc1
InChIInChI=1S/C19H26N4/c1-14-18(13-23(2)22-14)15-3-5-17(21-12-15)6-4-16-11-19(16)7-9-20-10-8-19/h3,5,12-13,16,20H,4,6-11H2,1-2H3
InChIKeyWNSWKKQQZCEELW-UHFFFAOYSA-N
XLogP3.11
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[2-[5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]ethyl]-6-azaspiro[2.5]octane with MolForge

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Launch Full Analysis

Related Compounds

N-[2-(2-tert-butyl-6-azaspiro[2.5]octan-2-yl)butan-2-yl]-5-(1,3-dimethylpyrazol-4-yl)pyridin-2-amine
CID 137409202
N-[5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-amine
CID 154696583
N-[6-(1,3-dimethylpyrazol-4-yl)pyridazin-3-yl]-7-azaspiro[3.5]nonan-2-amine;dihydrochloride
CID 138562448
6-(1,3-dimethylpyrazol-4-yl)-2,3-dihydro-1H-indole
CID 116698588
[2-(1,3-dimethylpyrazol-4-yl)-1H-imidazol-5-yl]methanol
CID 83094498
(3aR,6aS)-N-[5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]-2-[(3-methyl-1-bicyclo[3.2.1]oct-5-enyl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine
CID 156511272
1-[2-(5-methyl-2-pyridinyl)ethyl]piperazine
CID 20791668
N-[(1-methylpyrrol-2-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 106416786
2-(2-methylpropyl)-6-azaspiro[2.5]octane
CID 115013358
3-(1,3-dimethylpyrazol-4-yl)phenol
CID 130752122
4-[[5-(4-fluorophenyl)-4-(4-propan-2-ylphenyl)-2-pyridinyl]methyl]-8-azaspiro[4.5]decane
CID 175913653
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-4-(1,3-dimethylpyrazol-4-yl)-N-methylbenzamide
CID 122557349

Frequently Asked Questions

What is the IUPAC name of 2-[2-[5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]ethyl]-6-azaspiro[2.5]octane?
The IUPAC name of 2-[2-[5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]ethyl]-6-azaspiro[2.5]octane (CID 163496008) is 2-[2-[5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]ethyl]-6-azaspiro[2.5]octane.
What is the SMILES notation for 2-[2-[5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]ethyl]-6-azaspiro[2.5]octane?
The canonical SMILES for 2-[2-[5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]ethyl]-6-azaspiro[2.5]octane is Cc1nn(C)cc1-c1ccc(CCC2CC23CCNCC3)nc1.
What is the InChIKey of 2-[2-[5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]ethyl]-6-azaspiro[2.5]octane?
The InChIKey is WNSWKKQQZCEELW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4/c1-14-18(13-23(2)22-14)15-3-5-17(21-12-15)6-4-16-11-19(16)7-9-20-10-8-19/h3,5,12-13,16,20H,4,6-11H2,1-2H3.
What are the key properties of 2-[2-[5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]ethyl]-6-azaspiro[2.5]octane?
2-[2-[5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]ethyl]-6-azaspiro[2.5]octane has a molecular weight of 310.44 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]ethyl]-6-azaspiro[2.5]octane is sourced from PubChem (CID 163496008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).