9-(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one

C16H23N5O3 — CID 56902181

IUPAC9-(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
SMILESCN1CCc2[nH]nc(C(=O)N3CCCC4(CC3)CNC(=O)O4)c2C1
InChIInChI=1S/C16H23N5O3/c1-20-7-3-12-11(9-20)13(19-18-12)14(22)21-6-2-4-16(5-8-21)10-17-15(23)24-16/h2-10H2,1H3,(H,17,23)(H,18,19)
InChIKeyDXVHHJLDVHRDKS-UHFFFAOYSA-N
MW333.39 g/mol
LogP0.50
Rot. Bonds1

About 9-(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one

9-(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one (PubChem CID 56902181) has the molecular formula C16H23N5O3 and a molecular weight of 333.39 g/mol. Its IUPAC name is 9-(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one.

Molecular Properties

Compound Name9-(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
PubChem CID56902181
Molecular FormulaC16H23N5O3
Molecular Weight333.39 g/mol
Exact Mass333.18
IUPAC Name9-(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
SMILESCN1CCc2[nH]nc(C(=O)N3CCCC4(CC3)CNC(=O)O4)c2C1
InChIInChI=1S/C16H23N5O3/c1-20-7-3-12-11(9-20)13(19-18-12)14(22)21-6-2-4-16(5-8-21)10-17-15(23)24-16/h2-10H2,1H3,(H,17,23)(H,18,19)
InChIKeyDXVHHJLDVHRDKS-UHFFFAOYSA-N
XLogP0.50
TPSA90.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

8-[(5-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)carbonyl]-1-oxa-8-azaspiro[4.5]decane
CID 56871969
3-methyl-7-[(5-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)carbonyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 56892340
3-methyl-7-[(5-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)carbonyl]-1-oxa-3,7-diazaspiro[4.5]decan-2-one
CID 56895561
7-[(3-ethyl-4-methyl-1H-pyrazol-5-yl)carbonyl]-3-methyl-1-oxa-3,7-diazaspiro[4.5]decan-2-one
CID 56916640
[3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 75384386
[5-(2-Methylpropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-pyrrolidin-1-ylmethanone
CID 97461851
[5-(Oxan-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-pyrrolidin-1-ylmethanone
CID 97461854
(2-Methylpyrrolidin-1-yl)-(5-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanone
CID 118738737
(4-Methylpiperazin-1-yl)-[5-(oxolan-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methanone
CID 118738799
(5-Ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-(2-methylpyrrolidin-1-yl)methanone
CID 118742230
[5-(3-Methylbutyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-(2-methylpyrrolidin-1-yl)methanone
CID 118742237
[5-(Oxolan-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-pyrrolidin-1-ylmethanone
CID 118745576

Frequently Asked Questions

What is the IUPAC name of 9-(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one?
The IUPAC name of 9-(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one (CID 56902181) is 9-(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one.
What is the SMILES notation for 9-(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one?
The canonical SMILES for 9-(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one is CN1CCc2[nH]nc(C(=O)N3CCCC4(CC3)CNC(=O)O4)c2C1.
What is the InChIKey of 9-(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one?
The InChIKey is DXVHHJLDVHRDKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O3/c1-20-7-3-12-11(9-20)13(19-18-12)14(22)21-6-2-4-16(5-8-21)10-17-15(23)24-16/h2-10H2,1H3,(H,17,23)(H,18,19).
What are the key properties of 9-(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one?
9-(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one has a molecular weight of 333.39 g/mol, XLogP of 0.50, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one is sourced from PubChem (CID 56902181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).