7,7-difluoro-9-(1-methylindazole-3-carbonyl)-2,9-diazaspiro[4.5]decan-1-one

C17H18F2N4O2 — CID 131695166

IUPAC7,7-difluoro-9-(1-methylindazole-3-carbonyl)-2,9-diazaspiro[4.5]decan-1-one
SMILESCn1nc(C(=O)N2CC(F)(F)CC3(CCNC3=O)C2)c2ccccc21
InChIInChI=1S/C17H18F2N4O2/c1-22-12-5-3-2-4-11(12)13(21-22)14(24)23-9-16(6-7-20-15(16)25)8-17(18,19)10-23/h2-5H,6-10H2,1H3,(H,20,25)
InChIKeyYAKDUGKYWYBSTP-UHFFFAOYSA-N
MW348.35 g/mol
LogP1.56
Rot. Bonds1

About 7,7-difluoro-9-(1-methylindazole-3-carbonyl)-2,9-diazaspiro[4.5]decan-1-one

7,7-difluoro-9-(1-methylindazole-3-carbonyl)-2,9-diazaspiro[4.5]decan-1-one (PubChem CID 131695166) has the molecular formula C17H18F2N4O2 and a molecular weight of 348.35 g/mol. Its IUPAC name is 7,7-difluoro-9-(1-methylindazole-3-carbonyl)-2,9-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name7,7-difluoro-9-(1-methylindazole-3-carbonyl)-2,9-diazaspiro[4.5]decan-1-one
PubChem CID131695166
Molecular FormulaC17H18F2N4O2
Molecular Weight348.35 g/mol
Exact Mass348.14
IUPAC Name7,7-difluoro-9-(1-methylindazole-3-carbonyl)-2,9-diazaspiro[4.5]decan-1-one
SMILESCn1nc(C(=O)N2CC(F)(F)CC3(CCNC3=O)C2)c2ccccc21
InChIInChI=1S/C17H18F2N4O2/c1-22-12-5-3-2-4-11(12)13(21-22)14(24)23-9-16(6-7-20-15(16)25)8-17(18,19)10-23/h2-5H,6-10H2,1H3,(H,20,25)
InChIKeyYAKDUGKYWYBSTP-UHFFFAOYSA-N
XLogP1.56
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.35
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,3-dimethyl-4-(1-methylindazole-3-carbonyl)piperazin-2-one
CID 103120471
(1-methylindazol-3-yl)-pyrrolidin-1-ylmethanone
CID 110848618
9-(2,5-dimethylfuran-3-carbonyl)-7,7-difluoro-2,9-diazaspiro[4.5]decan-1-one
CID 131695168
9-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-7,7-difluoro-2,9-diazaspiro[4.5]decan-1-one
CID 131695132
(4-bromopiperidin-1-yl)-(1-methylindazol-3-yl)methanone
CID 103122439
1-(4-fluorophenyl)-2-[4-(1-methylindazole-3-carbonyl)piperazin-1-yl]ethanone
CID 24937693
[3-(hydroxymethyl)pyrrolidin-1-yl]-(1-methylindazol-3-yl)methanone
CID 103120147
[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-(1-methylindazol-3-yl)methanone
CID 166081502
(1-methylindazol-3-yl)-(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-en-9-yl)methanone
CID 135093117
[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-(1-methylindazol-3-yl)methanone
CID 135087267
N-[(3S,4S)-4-(hydroxymethyl)-1-(1-methylindazole-3-carbonyl)piperidin-3-yl]cyclopropanecarboxamide
CID 91910006
(1-methylindazol-3-yl)-(3-methyl-1-oxa-7-azaspiro[4.4]nonan-7-yl)methanone
CID 131651071

Frequently Asked Questions

What is the IUPAC name of 7,7-difluoro-9-(1-methylindazole-3-carbonyl)-2,9-diazaspiro[4.5]decan-1-one?
The IUPAC name of 7,7-difluoro-9-(1-methylindazole-3-carbonyl)-2,9-diazaspiro[4.5]decan-1-one (CID 131695166) is 7,7-difluoro-9-(1-methylindazole-3-carbonyl)-2,9-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 7,7-difluoro-9-(1-methylindazole-3-carbonyl)-2,9-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 7,7-difluoro-9-(1-methylindazole-3-carbonyl)-2,9-diazaspiro[4.5]decan-1-one is Cn1nc(C(=O)N2CC(F)(F)CC3(CCNC3=O)C2)c2ccccc21.
What is the InChIKey of 7,7-difluoro-9-(1-methylindazole-3-carbonyl)-2,9-diazaspiro[4.5]decan-1-one?
The InChIKey is YAKDUGKYWYBSTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N4O2/c1-22-12-5-3-2-4-11(12)13(21-22)14(24)23-9-16(6-7-20-15(16)25)8-17(18,19)10-23/h2-5H,6-10H2,1H3,(H,20,25).
What are the key properties of 7,7-difluoro-9-(1-methylindazole-3-carbonyl)-2,9-diazaspiro[4.5]decan-1-one?
7,7-difluoro-9-(1-methylindazole-3-carbonyl)-2,9-diazaspiro[4.5]decan-1-one has a molecular weight of 348.35 g/mol, XLogP of 1.56, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-difluoro-9-(1-methylindazole-3-carbonyl)-2,9-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 131695166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).