3-methyl-9-(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one

C16H23N5O3 — CID 56895561

IUPAC3-methyl-9-(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one
SMILESCN1CCc2[nH]nc(C(=O)N3CCCC4(CN(C)C(=O)O4)C3)c2C1
InChIInChI=1S/C16H23N5O3/c1-19-7-4-12-11(8-19)13(18-17-12)14(22)21-6-3-5-16(10-21)9-20(2)15(23)24-16/h3-10H2,1-2H3,(H,17,18)
InChIKeyCVSIYAKBKQJCSY-UHFFFAOYSA-N
MW333.39 g/mol
LogP0.45
Rot. Bonds1

About 3-methyl-9-(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one

3-methyl-9-(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one (PubChem CID 56895561) has the molecular formula C16H23N5O3 and a molecular weight of 333.39 g/mol. Its IUPAC name is 3-methyl-9-(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name3-methyl-9-(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one
PubChem CID56895561
Molecular FormulaC16H23N5O3
Molecular Weight333.39 g/mol
Exact Mass333.18
IUPAC Name3-methyl-9-(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one
SMILESCN1CCc2[nH]nc(C(=O)N3CCCC4(CN(C)C(=O)O4)C3)c2C1
InChIInChI=1S/C16H23N5O3/c1-19-7-4-12-11(8-19)13(18-17-12)14(22)21-6-3-5-16(10-21)9-20(2)15(23)24-16/h3-10H2,1-2H3,(H,17,18)
InChIKeyCVSIYAKBKQJCSY-UHFFFAOYSA-N
XLogP0.45
TPSA81.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-9-(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
The IUPAC name of 3-methyl-9-(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one (CID 56895561) is 3-methyl-9-(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 3-methyl-9-(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 3-methyl-9-(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one is CN1CCc2[nH]nc(C(=O)N3CCCC4(CN(C)C(=O)O4)C3)c2C1.
What is the InChIKey of 3-methyl-9-(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
The InChIKey is CVSIYAKBKQJCSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O3/c1-19-7-4-12-11(8-19)13(18-17-12)14(22)21-6-3-5-16(10-21)9-20(2)15(23)24-16/h3-10H2,1-2H3,(H,17,18).
What are the key properties of 3-methyl-9-(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
3-methyl-9-(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one has a molecular weight of 333.39 g/mol, XLogP of 0.45, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-9-(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 56895561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).