(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

C20H33Cl2N5O — CID 154894955

IUPAC(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
SMILESCN1CC2(CCNCC2)CC1C(=O)N1CCc2[nH]nc(C3CCC3)c2C1.Cl.Cl
InChIInChI=1S/C20H31N5O.2ClH/c1-24-13-20(6-8-21-9-7-20)11-17(24)19(26)25-10-5-16-15(12-25)18(23-22-16)14-3-2-4-14;;/h14,17,21H,2-13H2,1H3,(H,22,23);2*1H
InChIKeyJEDSDTYRRPLYGN-UHFFFAOYSA-N
MW430.42 g/mol
LogP2.48
Rot. Bonds2

About (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

(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 (PubChem CID 154894955) has the molecular formula C20H33Cl2N5O and a molecular weight of 430.42 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID154894955
Molecular FormulaC20H33Cl2N5O
Molecular Weight430.42 g/mol
Exact Mass429.21
IUPAC Name(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
SMILESCN1CC2(CCNCC2)CC1C(=O)N1CCc2[nH]nc(C3CCC3)c2C1.Cl.Cl
InChIInChI=1S/C20H31N5O.2ClH/c1-24-13-20(6-8-21-9-7-20)11-17(24)19(26)25-10-5-16-15(12-25)18(23-22-16)14-3-2-4-14;;/h14,17,21H,2-13H2,1H3,(H,22,23);2*1H
InChIKeyJEDSDTYRRPLYGN-UHFFFAOYSA-N
XLogP2.48
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.42
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CN1CC2(CCNCC2)CC1C(=O)N1CCc2[nH]nc(C3CCC3)c2C1.Cl.Cl.
What is the InChIKey of (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?
The InChIKey is JEDSDTYRRPLYGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N5O.2ClH/c1-24-13-20(6-8-21-9-7-20)11-17(24)19(26)25-10-5-16-15(12-25)18(23-22-16)14-3-2-4-14;;/h14,17,21H,2-13H2,1H3,(H,22,23);2*1H.
What are the key properties of (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?
(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 has a molecular weight of 430.42 g/mol, XLogP of 2.48, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 154894955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).