1-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-(1-propylpiperidin-4-yl)ethanone

C20H32N4O — CID 50954190

IUPAC1-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-(1-propylpiperidin-4-yl)ethanone
SMILESCCCN1CCC(CC(=O)N2CCc3[nH]nc(C4CCC4)c3C2)CC1
InChIInChI=1S/C20H32N4O/c1-2-9-23-10-6-15(7-11-23)13-19(25)24-12-8-18-17(14-24)20(22-21-18)16-4-3-5-16/h15-16H,2-14H2,1H3,(H,21,22)
InChIKeyCORWHURITWEKMC-UHFFFAOYSA-N
MW344.50 g/mol
LogP3.07
Rot. Bonds5

About 1-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-(1-propylpiperidin-4-yl)ethanone

1-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-(1-propylpiperidin-4-yl)ethanone (PubChem CID 50954190) has the molecular formula C20H32N4O and a molecular weight of 344.50 g/mol. Its IUPAC name is 1-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-(1-propylpiperidin-4-yl)ethanone.

Molecular Properties

Compound Name1-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-(1-propylpiperidin-4-yl)ethanone
PubChem CID50954190
Molecular FormulaC20H32N4O
Molecular Weight344.50 g/mol
Exact Mass344.26
IUPAC Name1-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-(1-propylpiperidin-4-yl)ethanone
SMILESCCCN1CCC(CC(=O)N2CCc3[nH]nc(C4CCC4)c3C2)CC1
InChIInChI=1S/C20H32N4O/c1-2-9-23-10-6-15(7-11-23)13-19(25)24-12-8-18-17(14-24)20(22-21-18)16-4-3-5-16/h15-16H,2-14H2,1H3,(H,21,22)
InChIKeyCORWHURITWEKMC-UHFFFAOYSA-N
XLogP3.07
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone
CID 31003834
(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-cycloheptylmethanone
CID 46984747
6-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)-2-methylpyridazin-3-one
CID 31106795
(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-(2-methyl-2,8-diazaspiro[4.5]decan-3-yl)methanone;dihydrochloride
CID 154894955
(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-(4-ethyl-6-fluoro-1H-indol-2-yl)methanone
CID 142576723
(2S)-1-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-(2-propan-2-ylimidazol-1-yl)propan-1-one
CID 97271300
N,N-dimethyl-5-[2-(1-propan-2-ylpiperidin-4-yl)acetyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 72903585
(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-(4-ethyl-1H-indol-2-yl)methanone
CID 142576923
2-cyclopentyl-1-[3-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)pyrrolidin-1-yl]ethanone
CID 155881349
(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-(2-pyridin-3-ylpyrimidin-5-yl)methanone
CID 31073625
ethyl 4-(3-cyclopropyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepin-6-yl)butanoate;formic acid
CID 163334244
1-(4-prop-2-enylpiperazin-1-yl)-2-(1-propylpiperidin-4-yl)ethanone
CID 131950880

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-(1-propylpiperidin-4-yl)ethanone?
The IUPAC name of 1-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-(1-propylpiperidin-4-yl)ethanone (CID 50954190) is 1-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-(1-propylpiperidin-4-yl)ethanone.
What is the SMILES notation for 1-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-(1-propylpiperidin-4-yl)ethanone?
The canonical SMILES for 1-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-(1-propylpiperidin-4-yl)ethanone is CCCN1CCC(CC(=O)N2CCc3[nH]nc(C4CCC4)c3C2)CC1.
What is the InChIKey of 1-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-(1-propylpiperidin-4-yl)ethanone?
The InChIKey is CORWHURITWEKMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O/c1-2-9-23-10-6-15(7-11-23)13-19(25)24-12-8-18-17(14-24)20(22-21-18)16-4-3-5-16/h15-16H,2-14H2,1H3,(H,21,22).
What are the key properties of 1-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-(1-propylpiperidin-4-yl)ethanone?
1-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-(1-propylpiperidin-4-yl)ethanone has a molecular weight of 344.50 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-(1-propylpiperidin-4-yl)ethanone is sourced from PubChem (CID 50954190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).