[1-(1-methylpyrazole-4-carbonyl)-1,6-diazaspiro[3.3]heptan-6-yl]-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]methanone

C16H20N4O3 — CID 131684468

IUPAC[1-(1-methylpyrazole-4-carbonyl)-1,6-diazaspiro[3.3]heptan-6-yl]-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]methanone
SMILESCn1cc(C(=O)N2CCC23CN(C(=O)C2[C@H]4COC[C@@H]24)C3)cn1
InChIInChI=1S/C16H20N4O3/c1-18-5-10(4-17-18)14(21)20-3-2-16(20)8-19(9-16)15(22)13-11-6-23-7-12(11)13/h4-5,11-13H,2-3,6-9H2,1H3/t11-,12+,13?
InChIKeyYKRFKZGYKMHCFL-FUNVUKJBSA-N
MW316.36 g/mol
LogP-0.26
Rot. Bonds2

About [1-(1-methylpyrazole-4-carbonyl)-1,6-diazaspiro[3.3]heptan-6-yl]-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]methanone

[1-(1-methylpyrazole-4-carbonyl)-1,6-diazaspiro[3.3]heptan-6-yl]-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]methanone (PubChem CID 131684468) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is [1-(1-methylpyrazole-4-carbonyl)-1,6-diazaspiro[3.3]heptan-6-yl]-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]methanone.

Molecular Properties

Compound Name[1-(1-methylpyrazole-4-carbonyl)-1,6-diazaspiro[3.3]heptan-6-yl]-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]methanone
PubChem CID131684468
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC Name[1-(1-methylpyrazole-4-carbonyl)-1,6-diazaspiro[3.3]heptan-6-yl]-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]methanone
SMILESCn1cc(C(=O)N2CCC23CN(C(=O)C2[C@H]4COC[C@@H]24)C3)cn1
InChIInChI=1S/C16H20N4O3/c1-18-5-10(4-17-18)14(21)20-3-2-16(20)8-19(9-16)15(22)13-11-6-23-7-12(11)13/h4-5,11-13H,2-3,6-9H2,1H3/t11-,12+,13?
InChIKeyYKRFKZGYKMHCFL-FUNVUKJBSA-N
XLogP-0.26
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 5-0.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [1-(1-methylpyrazole-4-carbonyl)-1,6-diazaspiro[3.3]heptan-6-yl]-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]methanone with MolForge

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Related Compounds

(5-cyclopropyl-1,2-oxazol-3-yl)-[1-(1-methylpyrazole-4-carbonyl)-1,6-diazaspiro[3.3]heptan-6-yl]methanone
CID 131684242
(1-methylpyrazol-4-yl)-(3-oxabicyclo[3.1.0]hexan-6-yl)methanone
CID 130763997
2-(2,5-difluorophenoxy)-1-[1-(1-methylpyrazole-4-carbonyl)-1,6-diazaspiro[3.3]heptan-6-yl]ethanone;formic acid
CID 155872168
4-(1-methylpyrazol-4-yl)-8-[(1S,5R)-3-oxabicyclo[3.1.0]hexane-6-carbonyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one
CID 131685265
(4-methylpiperazin-1-yl)-(1-methylpyrazol-4-yl)methanone
CID 60667533
(3-hydroxyazetidin-1-yl)-(1-methylpyrazol-4-yl)methanone
CID 63105085
(5S)-9-(1-methylpyrazole-4-carbonyl)-2-(1-methylpyrazol-4-yl)-2,9-diazaspiro[4.5]decan-1-one
CID 97490395
[(2R,6R)-2,6-dimethylmorpholin-4-yl]-(1-methylpyrazol-4-yl)methanone
CID 35294940
(2,6-dimethylmorpholin-4-yl)-(1-methylpyrazol-4-yl)methanone
CID 45147620
[4-(1-methylpyrazole-4-carbonyl)-1,7-dioxa-4,10-diazaspiro[5.5]undecan-10-yl]-pyridin-4-ylmethanone
CID 171318412
(4-amino-3,3-dimethylpiperidin-1-yl)-(1-methylpyrazol-4-yl)methanone;hydrochloride
CID 120816214
(6R)-10-(cyclopropylmethyl)-1-methyl-4-(1-methylpyrazole-4-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97191565

Frequently Asked Questions

What is the IUPAC name of [1-(1-methylpyrazole-4-carbonyl)-1,6-diazaspiro[3.3]heptan-6-yl]-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]methanone?
The IUPAC name of [1-(1-methylpyrazole-4-carbonyl)-1,6-diazaspiro[3.3]heptan-6-yl]-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]methanone (CID 131684468) is [1-(1-methylpyrazole-4-carbonyl)-1,6-diazaspiro[3.3]heptan-6-yl]-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]methanone.
What is the SMILES notation for [1-(1-methylpyrazole-4-carbonyl)-1,6-diazaspiro[3.3]heptan-6-yl]-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]methanone?
The canonical SMILES for [1-(1-methylpyrazole-4-carbonyl)-1,6-diazaspiro[3.3]heptan-6-yl]-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]methanone is Cn1cc(C(=O)N2CCC23CN(C(=O)C2[C@H]4COC[C@@H]24)C3)cn1.
What is the InChIKey of [1-(1-methylpyrazole-4-carbonyl)-1,6-diazaspiro[3.3]heptan-6-yl]-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]methanone?
The InChIKey is YKRFKZGYKMHCFL-FUNVUKJBSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-18-5-10(4-17-18)14(21)20-3-2-16(20)8-19(9-16)15(22)13-11-6-23-7-12(11)13/h4-5,11-13H,2-3,6-9H2,1H3/t11-,12+,13?.
What are the key properties of [1-(1-methylpyrazole-4-carbonyl)-1,6-diazaspiro[3.3]heptan-6-yl]-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]methanone?
[1-(1-methylpyrazole-4-carbonyl)-1,6-diazaspiro[3.3]heptan-6-yl]-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]methanone has a molecular weight of 316.36 g/mol, XLogP of -0.26, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-methylpyrazole-4-carbonyl)-1,6-diazaspiro[3.3]heptan-6-yl]-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]methanone is sourced from PubChem (CID 131684468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).