[(4aR,9aS)-2,3,4,4a,9,9a-hexahydroindeno[2,1-b]pyridin-1-yl]-imidazo[1,2-a]pyridin-7-ylmethanone

C20H19N3O — CID 67223182

IUPAC[(4aR,9aS)-2,3,4,4a,9,9a-hexahydroindeno[2,1-b]pyridin-1-yl]-imidazo[1,2-a]pyridin-7-ylmethanone
SMILESO=C(c1ccn2ccnc2c1)N1CCC[C@@H]2c3ccccc3C[C@@H]21
InChIInChI=1S/C20H19N3O/c24-20(15-7-10-22-11-8-21-19(22)13-15)23-9-3-6-17-16-5-2-1-4-14(16)12-18(17)23/h1-2,4-5,7-8,10-11,13,17-18H,3,6,9,12H2/t17-,18+/m1/s1
InChIKeyDGWCPDMVXBWGCL-MSOLQXFVSA-N
MW317.39 g/mol
LogP3.28
Rot. Bonds1

About [(4aR,9aS)-2,3,4,4a,9,9a-hexahydroindeno[2,1-b]pyridin-1-yl]-imidazo[1,2-a]pyridin-7-ylmethanone

[(4aR,9aS)-2,3,4,4a,9,9a-hexahydroindeno[2,1-b]pyridin-1-yl]-imidazo[1,2-a]pyridin-7-ylmethanone (PubChem CID 67223182) has the molecular formula C20H19N3O and a molecular weight of 317.39 g/mol. Its IUPAC name is [(4aR,9aS)-2,3,4,4a,9,9a-hexahydroindeno[2,1-b]pyridin-1-yl]-imidazo[1,2-a]pyridin-7-ylmethanone.

Molecular Properties

Compound Name[(4aR,9aS)-2,3,4,4a,9,9a-hexahydroindeno[2,1-b]pyridin-1-yl]-imidazo[1,2-a]pyridin-7-ylmethanone
PubChem CID67223182
Molecular FormulaC20H19N3O
Molecular Weight317.39 g/mol
Exact Mass317.15
IUPAC Name[(4aR,9aS)-2,3,4,4a,9,9a-hexahydroindeno[2,1-b]pyridin-1-yl]-imidazo[1,2-a]pyridin-7-ylmethanone
SMILESO=C(c1ccn2ccnc2c1)N1CCC[C@@H]2c3ccccc3C[C@@H]21
InChIInChI=1S/C20H19N3O/c24-20(15-7-10-22-11-8-21-19(22)13-15)23-9-3-6-17-16-5-2-1-4-14(16)12-18(17)23/h1-2,4-5,7-8,10-11,13,17-18H,3,6,9,12H2/t17-,18+/m1/s1
InChIKeyDGWCPDMVXBWGCL-MSOLQXFVSA-N
XLogP3.28
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [(4aR,9aS)-2,3,4,4a,9,9a-hexahydroindeno[2,1-b]pyridin-1-yl]-imidazo[1,2-a]pyridin-7-ylmethanone with MolForge

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Related Compounds

[(4aR,10bS)-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-4-yl]-imidazo[1,2-a]pyridin-6-ylmethanone
CID 67224096
[(4aS,9aR)-2,3,4,4a,9,9a-hexahydroindeno[2,1-b]pyridin-1-yl]-(4-chloro-3-hydroxyphenyl)methanone
CID 67969132
[(4aS,9aR)-2,3,4,4a,9,9a-hexahydroindeno[2,1-b]pyridin-1-yl]-(4-hydroxy-3-methylphenyl)methanone
CID 67223770
[(4aR,9aS)-2,3,4,4a,9,9a-hexahydroindeno[2,1-b]pyridin-1-yl]-(4-amino-3-fluorophenyl)methanone
CID 67224118
[(4aR,9aS)-2,3,4,4a,9,9a-hexahydroindeno[2,1-b]pyridin-1-yl]-(1,2-dihydroquinoxalin-6-yl)methanone
CID 141297422
[(4aS,9aR)-2,3,4,4a,9,9a-hexahydroindeno[2,1-b]pyridin-1-yl]-(1H-indol-5-yl)methanone
CID 67224579
2,3,4,4a,9,9a-hexahydroindeno[2,1-b]pyridin-1-yl-(2-amino-3H-benzimidazol-5-yl)methanone
CID 67969150
2,3,4,4a,9,9a-hexahydroindeno[2,1-b]pyridin-1-yl-(2-methyl-3H-benzimidazol-5-yl)methanone
CID 67223557
2,3,4,4a,9,9a-hexahydroindeno[2,1-b]pyridin-1-yl-(2-amino-1,3-benzothiazol-6-yl)methanone
CID 76744261
imidazo[1,2-a]pyrazin-8-yl-[(2R)-2-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidin-1-yl]methanone
CID 97220862
imidazo[1,2-a]pyridin-7-yl(pyrrolidin-1-yl)methanone
CID 118588718
1-[(4aS,9aR)-2,3,4,4a,9,9a-hexahydroindeno[2,1-b]pyridin-1-yl]-2,2,2-trifluoroethanone
CID 87305683

Frequently Asked Questions

What is the IUPAC name of [(4aR,9aS)-2,3,4,4a,9,9a-hexahydroindeno[2,1-b]pyridin-1-yl]-imidazo[1,2-a]pyridin-7-ylmethanone?
The IUPAC name of [(4aR,9aS)-2,3,4,4a,9,9a-hexahydroindeno[2,1-b]pyridin-1-yl]-imidazo[1,2-a]pyridin-7-ylmethanone (CID 67223182) is [(4aR,9aS)-2,3,4,4a,9,9a-hexahydroindeno[2,1-b]pyridin-1-yl]-imidazo[1,2-a]pyridin-7-ylmethanone.
What is the SMILES notation for [(4aR,9aS)-2,3,4,4a,9,9a-hexahydroindeno[2,1-b]pyridin-1-yl]-imidazo[1,2-a]pyridin-7-ylmethanone?
The canonical SMILES for [(4aR,9aS)-2,3,4,4a,9,9a-hexahydroindeno[2,1-b]pyridin-1-yl]-imidazo[1,2-a]pyridin-7-ylmethanone is O=C(c1ccn2ccnc2c1)N1CCC[C@@H]2c3ccccc3C[C@@H]21.
What is the InChIKey of [(4aR,9aS)-2,3,4,4a,9,9a-hexahydroindeno[2,1-b]pyridin-1-yl]-imidazo[1,2-a]pyridin-7-ylmethanone?
The InChIKey is DGWCPDMVXBWGCL-MSOLQXFVSA-N. The full InChI is InChI=1S/C20H19N3O/c24-20(15-7-10-22-11-8-21-19(22)13-15)23-9-3-6-17-16-5-2-1-4-14(16)12-18(17)23/h1-2,4-5,7-8,10-11,13,17-18H,3,6,9,12H2/t17-,18+/m1/s1.
What are the key properties of [(4aR,9aS)-2,3,4,4a,9,9a-hexahydroindeno[2,1-b]pyridin-1-yl]-imidazo[1,2-a]pyridin-7-ylmethanone?
[(4aR,9aS)-2,3,4,4a,9,9a-hexahydroindeno[2,1-b]pyridin-1-yl]-imidazo[1,2-a]pyridin-7-ylmethanone has a molecular weight of 317.39 g/mol, XLogP of 3.28, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4aR,9aS)-2,3,4,4a,9,9a-hexahydroindeno[2,1-b]pyridin-1-yl]-imidazo[1,2-a]pyridin-7-ylmethanone is sourced from PubChem (CID 67223182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).