(7,11-dimethyl-3,7,11-triazaspiro[5.6]dodecan-3-yl)-(2-pyridin-4-ylpyrimidin-5-yl)methanone

C21H28N6O — CID 72929703

IUPAC(7,11-dimethyl-3,7,11-triazaspiro[5.6]dodecan-3-yl)-(2-pyridin-4-ylpyrimidin-5-yl)methanone
SMILESCN1CCCN(C)C2(CCN(C(=O)c3cnc(-c4ccncc4)nc3)CC2)C1
InChIInChI=1S/C21H28N6O/c1-25-10-3-11-26(2)21(16-25)6-12-27(13-7-21)20(28)18-14-23-19(24-15-18)17-4-8-22-9-5-17/h4-5,8-9,14-15H,3,6-7,10-13,16H2,1-2H3
InChIKeyGFUOAPFXFRLJCG-UHFFFAOYSA-N
MW380.50 g/mol
LogP1.78
Rot. Bonds2

About (7,11-dimethyl-3,7,11-triazaspiro[5.6]dodecan-3-yl)-(2-pyridin-4-ylpyrimidin-5-yl)methanone

(7,11-dimethyl-3,7,11-triazaspiro[5.6]dodecan-3-yl)-(2-pyridin-4-ylpyrimidin-5-yl)methanone (PubChem CID 72929703) has the molecular formula C21H28N6O and a molecular weight of 380.50 g/mol. Its IUPAC name is (7,11-dimethyl-3,7,11-triazaspiro[5.6]dodecan-3-yl)-(2-pyridin-4-ylpyrimidin-5-yl)methanone.

Molecular Properties

Compound Name(7,11-dimethyl-3,7,11-triazaspiro[5.6]dodecan-3-yl)-(2-pyridin-4-ylpyrimidin-5-yl)methanone
PubChem CID72929703
Molecular FormulaC21H28N6O
Molecular Weight380.50 g/mol
Exact Mass380.23
IUPAC Name(7,11-dimethyl-3,7,11-triazaspiro[5.6]dodecan-3-yl)-(2-pyridin-4-ylpyrimidin-5-yl)methanone
SMILESCN1CCCN(C)C2(CCN(C(=O)c3cnc(-c4ccncc4)nc3)CC2)C1
InChIInChI=1S/C21H28N6O/c1-25-10-3-11-26(2)21(16-25)6-12-27(13-7-21)20(28)18-14-23-19(24-15-18)17-4-8-22-9-5-17/h4-5,8-9,14-15H,3,6-7,10-13,16H2,1-2H3
InChIKeyGFUOAPFXFRLJCG-UHFFFAOYSA-N
XLogP1.78
TPSA65.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.50
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (7,11-dimethyl-3,7,11-triazaspiro[5.6]dodecan-3-yl)-(2-pyridin-4-ylpyrimidin-5-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(7,11-dimethyl-3,7,11-triazaspiro[5.6]dodecan-3-yl)-(3-hydroxy-4-pyridinyl)methanone
CID 77090878
1-oxa-8-azaspiro[4.5]decan-8-yl-(2-pyridin-4-ylpyrimidin-5-yl)methanone
CID 72934930
[4-(3-methyl-4-pyridinyl)-1,4-diazepan-1-yl]-(2-pyridin-4-ylpyrimidin-5-yl)methanone
CID 70752019
(6S)-2-ethyl-8-(2-pyridin-4-ylpyrimidine-5-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 95895738
(4,4-dimethylpiperidin-1-yl)-pyridin-4-ylmethanone
CID 110738617
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(2-pyridin-4-ylpyrimidin-5-yl)methanone
CID 74245915
1-(7,11-dimethyl-3,7,11-triazaspiro[5.6]dodecan-3-yl)-2-(2,4,6-trimethylphenyl)ethanone
CID 118772715
(2-phenylpyrimidin-5-yl)-piperidin-1-ylmethanone
CID 2229074
(7,11-dimethyl-3,7,11-triazaspiro[5.6]dodecan-3-yl)-(7-fluoro-2-methylquinolin-4-yl)methanone
CID 70759141
[3-(2-chlorophenyl)pyrrolidin-1-yl]-(2-pyridin-4-ylpyrimidin-5-yl)methanone
CID 72926522
(4-methylpiperazin-1-yl)-pyridin-4-ylmethanone;hydrochloride
CID 110755354
[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]-(2-pyridin-4-ylpyrimidin-5-yl)methanone
CID 72872499

Frequently Asked Questions

What is the IUPAC name of (7,11-dimethyl-3,7,11-triazaspiro[5.6]dodecan-3-yl)-(2-pyridin-4-ylpyrimidin-5-yl)methanone?
The IUPAC name of (7,11-dimethyl-3,7,11-triazaspiro[5.6]dodecan-3-yl)-(2-pyridin-4-ylpyrimidin-5-yl)methanone (CID 72929703) is (7,11-dimethyl-3,7,11-triazaspiro[5.6]dodecan-3-yl)-(2-pyridin-4-ylpyrimidin-5-yl)methanone.
What is the SMILES notation for (7,11-dimethyl-3,7,11-triazaspiro[5.6]dodecan-3-yl)-(2-pyridin-4-ylpyrimidin-5-yl)methanone?
The canonical SMILES for (7,11-dimethyl-3,7,11-triazaspiro[5.6]dodecan-3-yl)-(2-pyridin-4-ylpyrimidin-5-yl)methanone is CN1CCCN(C)C2(CCN(C(=O)c3cnc(-c4ccncc4)nc3)CC2)C1.
What is the InChIKey of (7,11-dimethyl-3,7,11-triazaspiro[5.6]dodecan-3-yl)-(2-pyridin-4-ylpyrimidin-5-yl)methanone?
The InChIKey is GFUOAPFXFRLJCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N6O/c1-25-10-3-11-26(2)21(16-25)6-12-27(13-7-21)20(28)18-14-23-19(24-15-18)17-4-8-22-9-5-17/h4-5,8-9,14-15H,3,6-7,10-13,16H2,1-2H3.
What are the key properties of (7,11-dimethyl-3,7,11-triazaspiro[5.6]dodecan-3-yl)-(2-pyridin-4-ylpyrimidin-5-yl)methanone?
(7,11-dimethyl-3,7,11-triazaspiro[5.6]dodecan-3-yl)-(2-pyridin-4-ylpyrimidin-5-yl)methanone has a molecular weight of 380.50 g/mol, XLogP of 1.78, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7,11-dimethyl-3,7,11-triazaspiro[5.6]dodecan-3-yl)-(2-pyridin-4-ylpyrimidin-5-yl)methanone is sourced from PubChem (CID 72929703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).