6-methyl-3-[(1R,2S,6S,9R)-6-propyl-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]pyrido[1,2-a]pyrimidin-4-one

C24H32N4O2 — CID 166619036

IUPAC6-methyl-3-[(1R,2S,6S,9R)-6-propyl-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCCC[C@H]1CCC[C@H]2[C@@H]3C[C@@H](CN(C(=O)c4cnc5cccc(C)n5c4=O)C3)CN12
InChIInChI=1S/C24H32N4O2/c1-3-6-19-8-5-9-21-18-11-17(14-27(19)21)13-26(15-18)23(29)20-12-25-22-10-4-7-16(2)28(22)24(20)30/h4,7,10,12,17-19,21H,3,5-6,8-9,11,13-15H2,1-2H3/t17-,18+,19-,21-/m0/s1
InChIKeyMGCKQNMILBMEIW-JTJHWIPRSA-N
MW408.55 g/mol
LogP3.12
Rot. Bonds3

About 6-methyl-3-[(1R,2S,6S,9R)-6-propyl-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]pyrido[1,2-a]pyrimidin-4-one

6-methyl-3-[(1R,2S,6S,9R)-6-propyl-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 166619036) has the molecular formula C24H32N4O2 and a molecular weight of 408.55 g/mol. Its IUPAC name is 6-methyl-3-[(1R,2S,6S,9R)-6-propyl-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name6-methyl-3-[(1R,2S,6S,9R)-6-propyl-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID166619036
Molecular FormulaC24H32N4O2
Molecular Weight408.55 g/mol
Exact Mass408.25
IUPAC Name6-methyl-3-[(1R,2S,6S,9R)-6-propyl-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCCC[C@H]1CCC[C@H]2[C@@H]3C[C@@H](CN(C(=O)c4cnc5cccc(C)n5c4=O)C3)CN12
InChIInChI=1S/C24H32N4O2/c1-3-6-19-8-5-9-21-18-11-17(14-27(19)21)13-26(15-18)23(29)20-12-25-22-10-4-7-16(2)28(22)24(20)30/h4,7,10,12,17-19,21H,3,5-6,8-9,11,13-15H2,1-2H3/t17-,18+,19-,21-/m0/s1
InChIKeyMGCKQNMILBMEIW-JTJHWIPRSA-N
XLogP3.12
TPSA57.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-methyl-3-[(1R,2S,6S,9R)-6-propyl-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]pyrido[1,2-a]pyrimidin-4-one with MolForge

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Related Compounds

3-{[(4aR*,8aR*)-6-(3-methylbutyl)octahydro-1,6-naphthyridin-1(2H)-yl]carbonyl}-4H-pyrido[1,2-a]pyrimidin-4-one
CID 45932641
3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one
CID 51336205
3-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one
CID 94612977
3-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one
CID 94612978
3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one
CID 94612979
3-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one
CID 94612980
7-chloro-2-[(1R,2S,9S)-7,11-diazatricyclo[7.3.1.0~2,7~]tridec-11-ylmethyl]-4H-pyrido[1,2-a]pyrimidin-4-one
CID 155494434
5-{[(1R,2S,8S,9S)-8-(cyclohexylmethyl)-7,11-diazatricyclo[7.3.1.0~2,7~]tridec-11-yl]carbonyl}-2-methyl-4(3H)-pyrimidinone
CID 163318296
2-methyl-6-{[(1R,2S,8S,9S)-8-propyl-7,11-diazatricyclo[7.3.1.0~2,7~]tridec-11-yl]carbonyl}pyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 164692867
(1R,8S,9S)-11-[(4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)carbonyl]-8-propyl-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-6-one
CID 164693570
7-chloro-2-[[(1R,2S,8S,9S)-8-propyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 164694636
3-{[(1R,2S,8S,9S)-8-propyl-7,11-diazatricyclo[7.3.1.0~2,7~]tridec-11-yl]carbonyl}-4H-pyrido[1,2-a]pyrimidin-4-one formate
CID 165419296

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-[(1R,2S,6S,9R)-6-propyl-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 6-methyl-3-[(1R,2S,6S,9R)-6-propyl-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]pyrido[1,2-a]pyrimidin-4-one (CID 166619036) is 6-methyl-3-[(1R,2S,6S,9R)-6-propyl-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 6-methyl-3-[(1R,2S,6S,9R)-6-propyl-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 6-methyl-3-[(1R,2S,6S,9R)-6-propyl-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]pyrido[1,2-a]pyrimidin-4-one is CCC[C@H]1CCC[C@H]2[C@@H]3C[C@@H](CN(C(=O)c4cnc5cccc(C)n5c4=O)C3)CN12.
What is the InChIKey of 6-methyl-3-[(1R,2S,6S,9R)-6-propyl-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is MGCKQNMILBMEIW-JTJHWIPRSA-N. The full InChI is InChI=1S/C24H32N4O2/c1-3-6-19-8-5-9-21-18-11-17(14-27(19)21)13-26(15-18)23(29)20-12-25-22-10-4-7-16(2)28(22)24(20)30/h4,7,10,12,17-19,21H,3,5-6,8-9,11,13-15H2,1-2H3/t17-,18+,19-,21-/m0/s1.
What are the key properties of 6-methyl-3-[(1R,2S,6S,9R)-6-propyl-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]pyrido[1,2-a]pyrimidin-4-one?
6-methyl-3-[(1R,2S,6S,9R)-6-propyl-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 408.55 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-[(1R,2S,6S,9R)-6-propyl-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 166619036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).