3-[2-(3-cyclopropyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-oxoethyl]-4-(3-methylbutyl)piperazin-2-one

C20H31N5O2 — CID 56887808

IUPAC3-[2-(3-cyclopropyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-oxoethyl]-4-(3-methylbutyl)piperazin-2-one
SMILESCC(C)CCN1CCNC(=O)C1CC(=O)N1CCc2[nH]nc(C3CC3)c2C1
InChIInChI=1S/C20H31N5O2/c1-13(2)5-8-24-10-7-21-20(27)17(24)11-18(26)25-9-6-16-15(12-25)19(23-22-16)14-3-4-14/h13-14,17H,3-12H2,1-2H3,(H,21,27)(H,22,23)
InChIKeyGSASCAOBZYCTFL-UHFFFAOYSA-N
MW373.50 g/mol
LogP1.41
Rot. Bonds6

About 3-[2-(3-cyclopropyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-oxoethyl]-4-(3-methylbutyl)piperazin-2-one

3-[2-(3-cyclopropyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-oxoethyl]-4-(3-methylbutyl)piperazin-2-one (PubChem CID 56887808) has the molecular formula C20H31N5O2 and a molecular weight of 373.50 g/mol. Its IUPAC name is 3-[2-(3-cyclopropyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-oxoethyl]-4-(3-methylbutyl)piperazin-2-one.

Molecular Properties

Compound Name3-[2-(3-cyclopropyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-oxoethyl]-4-(3-methylbutyl)piperazin-2-one
PubChem CID56887808
Molecular FormulaC20H31N5O2
Molecular Weight373.50 g/mol
Exact Mass373.25
IUPAC Name3-[2-(3-cyclopropyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-oxoethyl]-4-(3-methylbutyl)piperazin-2-one
SMILESCC(C)CCN1CCNC(=O)C1CC(=O)N1CCc2[nH]nc(C3CC3)c2C1
InChIInChI=1S/C20H31N5O2/c1-13(2)5-8-24-10-7-21-20(27)17(24)11-18(26)25-9-6-16-15(12-25)19(23-22-16)14-3-4-14/h13-14,17H,3-12H2,1-2H3,(H,21,27)(H,22,23)
InChIKeyGSASCAOBZYCTFL-UHFFFAOYSA-N
XLogP1.41
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-Methylpiperidin-1-yl)-2-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]propan-1-one
CID 53593597
N-cyclohexyl-2-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]propanamide
CID 53599146
4-(cyclohexylmethyl)-3-[2-oxo-2-(2,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl)ethyl]-2-piperazinone
CID 56900947
(4-Methylpiperazin-1-yl)-(5-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanone
CID 97388964
4-(5-Propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl)piperazin-2-one
CID 97388975
(4-propan-2-ylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)methanone
CID 42873447
2-Methyl-1-[3-(piperidine-1-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]butan-1-one
CID 46168740
9-[(3-ethyl-4-methyl-1H-pyrazol-5-yl)carbonyl]-1-methyl-1,4,9-triazaspiro[5.5]undecan-5-one
CID 56755130
1'-(cyclopropylcarbonyl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1,4'-bipiperidine-3-carboxamide
CID 56875867
N-cyclopropyl-5-pentanoyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 93003929
(2S)-2-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)pyrrolidine-1-carboxamide
CID 39754099
N-[2-(3-ethyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl)-2-oxoethyl]urea (non-preferred name)
CID 91771576

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-cyclopropyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-oxoethyl]-4-(3-methylbutyl)piperazin-2-one?
The IUPAC name of 3-[2-(3-cyclopropyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-oxoethyl]-4-(3-methylbutyl)piperazin-2-one (CID 56887808) is 3-[2-(3-cyclopropyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-oxoethyl]-4-(3-methylbutyl)piperazin-2-one.
What is the SMILES notation for 3-[2-(3-cyclopropyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-oxoethyl]-4-(3-methylbutyl)piperazin-2-one?
The canonical SMILES for 3-[2-(3-cyclopropyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-oxoethyl]-4-(3-methylbutyl)piperazin-2-one is CC(C)CCN1CCNC(=O)C1CC(=O)N1CCc2[nH]nc(C3CC3)c2C1.
What is the InChIKey of 3-[2-(3-cyclopropyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-oxoethyl]-4-(3-methylbutyl)piperazin-2-one?
The InChIKey is GSASCAOBZYCTFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N5O2/c1-13(2)5-8-24-10-7-21-20(27)17(24)11-18(26)25-9-6-16-15(12-25)19(23-22-16)14-3-4-14/h13-14,17H,3-12H2,1-2H3,(H,21,27)(H,22,23).
What are the key properties of 3-[2-(3-cyclopropyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-oxoethyl]-4-(3-methylbutyl)piperazin-2-one?
3-[2-(3-cyclopropyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-oxoethyl]-4-(3-methylbutyl)piperazin-2-one has a molecular weight of 373.50 g/mol, XLogP of 1.41, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-cyclopropyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-oxoethyl]-4-(3-methylbutyl)piperazin-2-one is sourced from PubChem (CID 56887808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).