(10-methyl-3,10-diazaspiro[5.6]dodecan-3-yl)-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methanone

C20H32N4O — CID 56740442

IUPAC(10-methyl-3,10-diazaspiro[5.6]dodecan-3-yl)-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methanone
SMILESCN1CCCC2(CC1)CCN(C(=O)c1c3c(nn1C)CCCC3)CC2
InChIInChI=1S/C20H32N4O/c1-22-12-5-8-20(9-13-22)10-14-24(15-11-20)19(25)18-16-6-3-4-7-17(16)21-23(18)2/h3-15H2,1-2H3
InChIKeyNKQVSJLJFRIFJM-UHFFFAOYSA-N
MW344.50 g/mol
LogP2.64
Rot. Bonds1

About (10-methyl-3,10-diazaspiro[5.6]dodecan-3-yl)-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methanone

(10-methyl-3,10-diazaspiro[5.6]dodecan-3-yl)-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methanone (PubChem CID 56740442) has the molecular formula C20H32N4O and a molecular weight of 344.50 g/mol. Its IUPAC name is (10-methyl-3,10-diazaspiro[5.6]dodecan-3-yl)-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methanone.

Molecular Properties

Compound Name(10-methyl-3,10-diazaspiro[5.6]dodecan-3-yl)-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methanone
PubChem CID56740442
Molecular FormulaC20H32N4O
Molecular Weight344.50 g/mol
Exact Mass344.26
IUPAC Name(10-methyl-3,10-diazaspiro[5.6]dodecan-3-yl)-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methanone
SMILESCN1CCCC2(CC1)CCN(C(=O)c1c3c(nn1C)CCCC3)CC2
InChIInChI=1S/C20H32N4O/c1-22-12-5-8-20(9-13-22)10-14-24(15-11-20)19(25)18-16-6-3-4-7-17(16)21-23(18)2/h3-15H2,1-2H3
InChIKeyNKQVSJLJFRIFJM-UHFFFAOYSA-N
XLogP2.64
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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
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
1,9-dimethyl-4-[(1-methyl-4,5,6,7-tetrahydro-1H-indazol-3-yl)carbonyl]-1,4,9-triazaspiro[5.6]dodecan-10-one
CID 72887277
1-methyl-4-[(1-methyl-4,5,6,7-tetrahydro-1H-indazol-3-yl)carbonyl]-1,4,9-triazaspiro[5.6]dodecan-10-one
CID 72904697
9-ethyl-1-methyl-4-[(1-methyl-3-propyl-1H-pyrazol-5-yl)carbonyl]-1,4,9-triazaspiro[5.6]dodecan-10-one
CID 72927066
(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2(1H)-yl)acetonitrile
CID 91890082
N-(butan-2-yl)-2-{1-oxo-1H,2H,7H,8H,9H,10H-pyrazino[1,2-b]indazol-2-yl}acetamide
CID 91890107
N-[2-(cyclohex-1-en-1-yl)ethyl]-2-{1-oxo-1H,2H,7H,8H,9H,10H-pyrazino[1,2-b]indazol-2-yl}acetamide
CID 91890108

Frequently Asked Questions

What is the IUPAC name of (10-methyl-3,10-diazaspiro[5.6]dodecan-3-yl)-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methanone?
The IUPAC name of (10-methyl-3,10-diazaspiro[5.6]dodecan-3-yl)-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methanone (CID 56740442) is (10-methyl-3,10-diazaspiro[5.6]dodecan-3-yl)-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methanone.
What is the SMILES notation for (10-methyl-3,10-diazaspiro[5.6]dodecan-3-yl)-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methanone?
The canonical SMILES for (10-methyl-3,10-diazaspiro[5.6]dodecan-3-yl)-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methanone is CN1CCCC2(CC1)CCN(C(=O)c1c3c(nn1C)CCCC3)CC2.
What is the InChIKey of (10-methyl-3,10-diazaspiro[5.6]dodecan-3-yl)-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methanone?
The InChIKey is NKQVSJLJFRIFJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O/c1-22-12-5-8-20(9-13-22)10-14-24(15-11-20)19(25)18-16-6-3-4-7-17(16)21-23(18)2/h3-15H2,1-2H3.
What are the key properties of (10-methyl-3,10-diazaspiro[5.6]dodecan-3-yl)-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methanone?
(10-methyl-3,10-diazaspiro[5.6]dodecan-3-yl)-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methanone has a molecular weight of 344.50 g/mol, XLogP of 2.64, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (10-methyl-3,10-diazaspiro[5.6]dodecan-3-yl)-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methanone is sourced from PubChem (CID 56740442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).