3-[(1R,5R)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonane-3-carbonyl]-6-methylpyrido[1,2-a]pyrimidin-4-one

C21H26N4O2 — CID 72899743

IUPAC3-[(1R,5R)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonane-3-carbonyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccc2ncc(C(=O)N3C[C@@H]4CC[C@H](C3)N(CC3CC3)C4)c(=O)n12
InChIInChI=1S/C21H26N4O2/c1-14-3-2-4-19-22-9-18(21(27)25(14)19)20(26)24-12-16-7-8-17(13-24)23(11-16)10-15-5-6-15/h2-4,9,15-17H,5-8,10-13H2,1H3/t16-,17-/m1/s1
InChIKeyCTKVBYMLFDYZGA-IAGOWNOFSA-N
MW366.47 g/mol
LogP1.95
Rot. Bonds3

About 3-[(1R,5R)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonane-3-carbonyl]-6-methylpyrido[1,2-a]pyrimidin-4-one

3-[(1R,5R)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonane-3-carbonyl]-6-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 72899743) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is 3-[(1R,5R)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonane-3-carbonyl]-6-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-[(1R,5R)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonane-3-carbonyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID72899743
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC Name3-[(1R,5R)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonane-3-carbonyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccc2ncc(C(=O)N3C[C@@H]4CC[C@H](C3)N(CC3CC3)C4)c(=O)n12
InChIInChI=1S/C21H26N4O2/c1-14-3-2-4-19-22-9-18(21(27)25(14)19)20(26)24-12-16-7-8-17(13-24)23(11-16)10-15-5-6-15/h2-4,9,15-17H,5-8,10-13H2,1H3/t16-,17-/m1/s1
InChIKeyCTKVBYMLFDYZGA-IAGOWNOFSA-N
XLogP1.95
TPSA57.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[(1R,5R)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonane-3-carbonyl]-6-methylpyrido[1,2-a]pyrimidin-4-one with MolForge

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Related Compounds

3-{[(3S)-3-(dimethylamino)azepan-1-yl]carbonyl}-4H-pyrido[1,2-a]pyrimidin-4-one
CID 70711071
2-methyl-5-{[(1R*,5R*)-6-(3-methyl-2-buten-1-yl)-3,6-diazabicyclo[3.2.2]non-3-yl]carbonyl}-4(3H)-pyrimidinone
CID 133135321
3-(2-Propan-2-ylpiperidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one
CID 60321271
7-chloro-2-[[(1S,5R)-6-methyl-7-oxo-3,6-diazabicyclo[3.2.2]nonan-3-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 70709970
2-methyl-5-[(1R,5R)-6-(3-methylbut-2-enyl)-3,6-diazabicyclo[3.2.2]nonane-3-carbonyl]-1H-pyrimidin-6-one
CID 70719911
6-methyl-3-{[(1S*,5R*)-6-methyl-7-oxo-3,6-diazabicyclo[3.2.2]non-3-yl]carbonyl}-4H-pyrido[1,2-a]pyrimidin-4-one
CID 70731766
3-{[(1R*,5R*)-6-(2-methoxyethyl)-3,6-diazabicyclo[3.2.2]non-3-yl]carbonyl}-4H-pyrido[1,2-a]pyrimidin-4-one
CID 70771408
2-{[(1S*,5R*)-6-(3-methyl-2-buten-1-yl)-7-oxo-3,6-diazabicyclo[3.2.2]non-3-yl]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
CID 70784417
3-{[(1S*,5R*)-6-(3-methylbut-2-en-1-yl)-7-oxo-3,6-diazabicyclo[3.2.2]non-3-yl]carbonyl}-4H-pyrido[1,2-a]pyrimidin-4-one
CID 72880280
3-{[(1S*,5R*)-3-(tetrahydro-2H-pyran-4-yl)-3,6-diazabicyclo[3.2.2]non-6-yl]carbonyl}-4H-pyrido[1,2-a]pyrimidin-4-one
CID 72895969
3-[(1R,5R)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonane-3-carbonyl]-9-hydroxypyrido[1,2-a]pyrimidin-4-one
CID 72896801
3-{[(1S*,5R*)-3-acetyl-3,6-diazabicyclo[3.2.2]non-6-yl]carbonyl}-9-hydroxy-4H-pyrido[1,2-a]pyrimidin-4-one
CID 72896897

Frequently Asked Questions

What is the IUPAC name of 3-[(1R,5R)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonane-3-carbonyl]-6-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-[(1R,5R)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonane-3-carbonyl]-6-methylpyrido[1,2-a]pyrimidin-4-one (CID 72899743) is 3-[(1R,5R)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonane-3-carbonyl]-6-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-[(1R,5R)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonane-3-carbonyl]-6-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-[(1R,5R)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonane-3-carbonyl]-6-methylpyrido[1,2-a]pyrimidin-4-one is Cc1cccc2ncc(C(=O)N3C[C@@H]4CC[C@H](C3)N(CC3CC3)C4)c(=O)n12.
What is the InChIKey of 3-[(1R,5R)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonane-3-carbonyl]-6-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is CTKVBYMLFDYZGA-IAGOWNOFSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-14-3-2-4-19-22-9-18(21(27)25(14)19)20(26)24-12-16-7-8-17(13-24)23(11-16)10-15-5-6-15/h2-4,9,15-17H,5-8,10-13H2,1H3/t16-,17-/m1/s1.
What are the key properties of 3-[(1R,5R)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonane-3-carbonyl]-6-methylpyrido[1,2-a]pyrimidin-4-one?
3-[(1R,5R)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonane-3-carbonyl]-6-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 366.47 g/mol, XLogP of 1.95, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R,5R)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonane-3-carbonyl]-6-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 72899743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).