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

C20H24N4O2 — CID 70767570

IUPAC(1S,2S,9R)-11-(2-methylimidazo[1,2-a]pyridine-6-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one
SMILESCc1cn2cc(C(=O)N3C[C@H]4C[C@@H](C3)[C@@H]3CCCC(=O)N3C4)ccc2n1
InChIInChI=1S/C20H24N4O2/c1-13-8-22-11-15(5-6-18(22)21-13)20(26)23-9-14-7-16(12-23)17-3-2-4-19(25)24(17)10-14/h5-6,8,11,14,16-17H,2-4,7,9-10,12H2,1H3/t14-,16+,17+/m1/s1
InChIKeyHJPFXXMPNPRBOE-PVAVHDDUSA-N
MW352.44 g/mol
LogP2.12
Rot. Bonds1

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

(1S,2S,9R)-11-(2-methylimidazo[1,2-a]pyridine-6-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one (PubChem CID 70767570) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is (1S,2S,9R)-11-(2-methylimidazo[1,2-a]pyridine-6-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one.

Molecular Properties

Compound Name(1S,2S,9R)-11-(2-methylimidazo[1,2-a]pyridine-6-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one
PubChem CID70767570
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name(1S,2S,9R)-11-(2-methylimidazo[1,2-a]pyridine-6-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one
SMILESCc1cn2cc(C(=O)N3C[C@H]4C[C@@H](C3)[C@@H]3CCCC(=O)N3C4)ccc2n1
InChIInChI=1S/C20H24N4O2/c1-13-8-22-11-15(5-6-18(22)21-13)20(26)23-9-14-7-16(12-23)17-3-2-4-19(25)24(17)10-14/h5-6,8,11,14,16-17H,2-4,7,9-10,12H2,1H3/t14-,16+,17+/m1/s1
InChIKeyHJPFXXMPNPRBOE-PVAVHDDUSA-N
XLogP2.12
TPSA57.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1S,2S,9R)-11-(2-methylimidazo[1,2-a]pyridine-6-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one?
The IUPAC name of (1S,2S,9R)-11-(2-methylimidazo[1,2-a]pyridine-6-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one (CID 70767570) is (1S,2S,9R)-11-(2-methylimidazo[1,2-a]pyridine-6-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one.
What is the SMILES notation for (1S,2S,9R)-11-(2-methylimidazo[1,2-a]pyridine-6-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one?
The canonical SMILES for (1S,2S,9R)-11-(2-methylimidazo[1,2-a]pyridine-6-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one is Cc1cn2cc(C(=O)N3C[C@H]4C[C@@H](C3)[C@@H]3CCCC(=O)N3C4)ccc2n1.
What is the InChIKey of (1S,2S,9R)-11-(2-methylimidazo[1,2-a]pyridine-6-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one?
The InChIKey is HJPFXXMPNPRBOE-PVAVHDDUSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-13-8-22-11-15(5-6-18(22)21-13)20(26)23-9-14-7-16(12-23)17-3-2-4-19(25)24(17)10-14/h5-6,8,11,14,16-17H,2-4,7,9-10,12H2,1H3/t14-,16+,17+/m1/s1.
What are the key properties of (1S,2S,9R)-11-(2-methylimidazo[1,2-a]pyridine-6-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one?
(1S,2S,9R)-11-(2-methylimidazo[1,2-a]pyridine-6-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one has a molecular weight of 352.44 g/mol, XLogP of 2.12, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,9R)-11-(2-methylimidazo[1,2-a]pyridine-6-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one is sourced from PubChem (CID 70767570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).