1,10-dimethyl-4-(1-methyl-4,5,6,7-tetrahydroindazole-3-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one

C20H31N5O2 — CID 72887277

IUPAC1,10-dimethyl-4-(1-methyl-4,5,6,7-tetrahydroindazole-3-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one
SMILESCN1CCC2(CCC1=O)CN(C(=O)c1nn(C)c3c1CCCC3)CCN2C
InChIInChI=1S/C20H31N5O2/c1-22-11-10-20(9-8-17(22)26)14-25(13-12-23(20)2)19(27)18-15-6-4-5-7-16(15)24(3)21-18/h4-14H2,1-3H3
InChIKeyAWNFSXHSFAJXDC-UHFFFAOYSA-N
MW373.50 g/mol
LogP1.07
Rot. Bonds1

About 1,10-dimethyl-4-(1-methyl-4,5,6,7-tetrahydroindazole-3-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one

1,10-dimethyl-4-(1-methyl-4,5,6,7-tetrahydroindazole-3-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one (PubChem CID 72887277) has the molecular formula C20H31N5O2 and a molecular weight of 373.50 g/mol. Its IUPAC name is 1,10-dimethyl-4-(1-methyl-4,5,6,7-tetrahydroindazole-3-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one.

Molecular Properties

Compound Name1,10-dimethyl-4-(1-methyl-4,5,6,7-tetrahydroindazole-3-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one
PubChem CID72887277
Molecular FormulaC20H31N5O2
Molecular Weight373.50 g/mol
Exact Mass373.25
IUPAC Name1,10-dimethyl-4-(1-methyl-4,5,6,7-tetrahydroindazole-3-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one
SMILESCN1CCC2(CCC1=O)CN(C(=O)c1nn(C)c3c1CCCC3)CCN2C
InChIInChI=1S/C20H31N5O2/c1-22-11-10-20(9-8-17(22)26)14-25(13-12-23(20)2)19(27)18-15-6-4-5-7-16(15)24(3)21-18/h4-14H2,1-3H3
InChIKeyAWNFSXHSFAJXDC-UHFFFAOYSA-N
XLogP1.07
TPSA61.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1,10-dimethyl-4-(1-methyl-4,5,6,7-tetrahydroindazole-3-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one with MolForge

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Related Compounds

[5-(Azepan-1-yl)-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone
CID 45164429
3-(1-azepanylcarbonyl)-1-methyl-N-[2-methyl-2-(4-morpholinyl)propyl]-4,5,6,7-tetrahydro-1H-indazol-5-amine
CID 45165071
[5-[2-(Diethylamino)ethyl-methylamino]-1-methyl-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone
CID 45488805
5-(cyclohexylmethylamino)-N,1-dimethyl-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45160022
(S)-N-(2,6-Dioxopiperidin-3-yl)-1-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 150391238
2-Cyclohexyl-1-[4-(1,3,5-trimethylpyrazole-4-carbonyl)piperazin-1-yl]ethanone
CID 72025347
N-cyclohexyl-N-methyl-2-{1-oxo-1H,2H,7H,8H,9H,10H-pyrazino[1,2-b]indazol-2-yl}acetamide
CID 91890131
2-[3-oxo-3-(1,4-thiazinan-4-yl)propyl]-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1(2H)-one
CID 91917271
N-(3-methylbutyl)-2-{1-oxo-1H,2H,7H,8H,9H,10H-pyrazino[1,2-b]indazol-2-yl}acetamide
CID 91890109
9-methyl-3-[(2-methyl-4,5,6,7-tetrahydro-2H-indazol-3-yl)carbonyl]-3,9-diazaspiro[5.6]dodecane
CID 56740442
4-[(3-ethyl-1-methyl-1H-pyrazol-5-yl)carbonyl]-1,9-dimethyl-1,4,9-triazaspiro[5.6]dodecan-10-one
CID 72844033
4-[(1-ethyl-3-isopropyl-1H-pyrazol-5-yl)carbonyl]-1,9-dimethyl-1,4,9-triazaspiro[5.6]dodecan-10-one
CID 72883564

Frequently Asked Questions

What is the IUPAC name of 1,10-dimethyl-4-(1-methyl-4,5,6,7-tetrahydroindazole-3-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one?
The IUPAC name of 1,10-dimethyl-4-(1-methyl-4,5,6,7-tetrahydroindazole-3-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one (CID 72887277) is 1,10-dimethyl-4-(1-methyl-4,5,6,7-tetrahydroindazole-3-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one.
What is the SMILES notation for 1,10-dimethyl-4-(1-methyl-4,5,6,7-tetrahydroindazole-3-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one?
The canonical SMILES for 1,10-dimethyl-4-(1-methyl-4,5,6,7-tetrahydroindazole-3-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one is CN1CCC2(CCC1=O)CN(C(=O)c1nn(C)c3c1CCCC3)CCN2C.
What is the InChIKey of 1,10-dimethyl-4-(1-methyl-4,5,6,7-tetrahydroindazole-3-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one?
The InChIKey is AWNFSXHSFAJXDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N5O2/c1-22-11-10-20(9-8-17(22)26)14-25(13-12-23(20)2)19(27)18-15-6-4-5-7-16(15)24(3)21-18/h4-14H2,1-3H3.
What are the key properties of 1,10-dimethyl-4-(1-methyl-4,5,6,7-tetrahydroindazole-3-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one?
1,10-dimethyl-4-(1-methyl-4,5,6,7-tetrahydroindazole-3-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one has a molecular weight of 373.50 g/mol, XLogP of 1.07, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,10-dimethyl-4-(1-methyl-4,5,6,7-tetrahydroindazole-3-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one is sourced from PubChem (CID 72887277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).