(1R,2S,9R)-11-(2-methylimidazo[1,2-a]pyrimidine-3-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one

C19H23N5O2 — CID 56863718

IUPAC(1R,2S,9R)-11-(2-methylimidazo[1,2-a]pyrimidine-3-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one
SMILESCc1nc2ncccn2c1C(=O)N1C[C@H]2C[C@H](C1)[C@@H]1CCCC(=O)N1C2
InChIInChI=1S/C19H23N5O2/c1-12-17(23-7-3-6-20-19(23)21-12)18(26)22-9-13-8-14(11-22)15-4-2-5-16(25)24(15)10-13/h3,6-7,13-15H,2,4-5,8-11H2,1H3/t13-,14-,15+/m1/s1
InChIKeyFXUXFZLFLXRZMK-KFWWJZLASA-N
MW353.43 g/mol
LogP1.51
Rot. Bonds1

About (1R,2S,9R)-11-(2-methylimidazo[1,2-a]pyrimidine-3-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one

(1R,2S,9R)-11-(2-methylimidazo[1,2-a]pyrimidine-3-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one (PubChem CID 56863718) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is (1R,2S,9R)-11-(2-methylimidazo[1,2-a]pyrimidine-3-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one.

Molecular Properties

Compound Name(1R,2S,9R)-11-(2-methylimidazo[1,2-a]pyrimidine-3-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one
PubChem CID56863718
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name(1R,2S,9R)-11-(2-methylimidazo[1,2-a]pyrimidine-3-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one
SMILESCc1nc2ncccn2c1C(=O)N1C[C@H]2C[C@H](C1)[C@@H]1CCCC(=O)N1C2
InChIInChI=1S/C19H23N5O2/c1-12-17(23-7-3-6-20-19(23)21-12)18(26)22-9-13-8-14(11-22)15-4-2-5-16(25)24(15)10-13/h3,6-7,13-15H,2,4-5,8-11H2,1H3/t13-,14-,15+/m1/s1
InChIKeyFXUXFZLFLXRZMK-KFWWJZLASA-N
XLogP1.51
TPSA70.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,9R)-11-(2-methylimidazo[1,2-a]pyrimidine-3-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one?
The IUPAC name of (1R,2S,9R)-11-(2-methylimidazo[1,2-a]pyrimidine-3-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one (CID 56863718) is (1R,2S,9R)-11-(2-methylimidazo[1,2-a]pyrimidine-3-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one.
What is the SMILES notation for (1R,2S,9R)-11-(2-methylimidazo[1,2-a]pyrimidine-3-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one?
The canonical SMILES for (1R,2S,9R)-11-(2-methylimidazo[1,2-a]pyrimidine-3-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one is Cc1nc2ncccn2c1C(=O)N1C[C@H]2C[C@H](C1)[C@@H]1CCCC(=O)N1C2.
What is the InChIKey of (1R,2S,9R)-11-(2-methylimidazo[1,2-a]pyrimidine-3-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one?
The InChIKey is FXUXFZLFLXRZMK-KFWWJZLASA-N. The full InChI is InChI=1S/C19H23N5O2/c1-12-17(23-7-3-6-20-19(23)21-12)18(26)22-9-13-8-14(11-22)15-4-2-5-16(25)24(15)10-13/h3,6-7,13-15H,2,4-5,8-11H2,1H3/t13-,14-,15+/m1/s1.
What are the key properties of (1R,2S,9R)-11-(2-methylimidazo[1,2-a]pyrimidine-3-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one?
(1R,2S,9R)-11-(2-methylimidazo[1,2-a]pyrimidine-3-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one has a molecular weight of 353.43 g/mol, XLogP of 1.51, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,9R)-11-(2-methylimidazo[1,2-a]pyrimidine-3-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one is sourced from PubChem (CID 56863718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).