(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-(1-oxa-8-azaspiro[4.5]decan-8-yl)methanone

C16H24N4O2 — CID 56871969

IUPAC(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-(1-oxa-8-azaspiro[4.5]decan-8-yl)methanone
SMILESCN1CCc2[nH]nc(C(=O)N3CCC4(CCCO4)CC3)c2C1
InChIInChI=1S/C16H24N4O2/c1-19-7-3-13-12(11-19)14(18-17-13)15(21)20-8-5-16(6-9-20)4-2-10-22-16/h2-11H2,1H3,(H,17,18)
InChIKeyUMMQJTSEBGTPEL-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.18
Rot. Bonds1

About (5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-(1-oxa-8-azaspiro[4.5]decan-8-yl)methanone

(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-(1-oxa-8-azaspiro[4.5]decan-8-yl)methanone (PubChem CID 56871969) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is (5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-(1-oxa-8-azaspiro[4.5]decan-8-yl)methanone.

Molecular Properties

Compound Name(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-(1-oxa-8-azaspiro[4.5]decan-8-yl)methanone
PubChem CID56871969
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-(1-oxa-8-azaspiro[4.5]decan-8-yl)methanone
SMILESCN1CCc2[nH]nc(C(=O)N3CCC4(CCCO4)CC3)c2C1
InChIInChI=1S/C16H24N4O2/c1-19-7-3-13-12(11-19)14(18-17-13)15(21)20-8-5-16(6-9-20)4-2-10-22-16/h2-11H2,1H3,(H,17,18)
InChIKeyUMMQJTSEBGTPEL-UHFFFAOYSA-N
XLogP1.18
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-(1-oxa-8-azaspiro[4.5]decan-8-yl)methanone?
The IUPAC name of (5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-(1-oxa-8-azaspiro[4.5]decan-8-yl)methanone (CID 56871969) is (5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-(1-oxa-8-azaspiro[4.5]decan-8-yl)methanone.
What is the SMILES notation for (5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-(1-oxa-8-azaspiro[4.5]decan-8-yl)methanone?
The canonical SMILES for (5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-(1-oxa-8-azaspiro[4.5]decan-8-yl)methanone is CN1CCc2[nH]nc(C(=O)N3CCC4(CCCO4)CC3)c2C1.
What is the InChIKey of (5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-(1-oxa-8-azaspiro[4.5]decan-8-yl)methanone?
The InChIKey is UMMQJTSEBGTPEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-19-7-3-13-12(11-19)14(18-17-13)15(21)20-8-5-16(6-9-20)4-2-10-22-16/h2-11H2,1H3,(H,17,18).
What are the key properties of (5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-(1-oxa-8-azaspiro[4.5]decan-8-yl)methanone?
(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-(1-oxa-8-azaspiro[4.5]decan-8-yl)methanone has a molecular weight of 304.39 g/mol, XLogP of 1.18, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-(1-oxa-8-azaspiro[4.5]decan-8-yl)methanone is sourced from PubChem (CID 56871969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).