[(2S)-3,4-dihydro-2H-chromen-2-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone

C16H17N3O2 — CID 97437981

IUPAC[(2S)-3,4-dihydro-2H-chromen-2-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
SMILESO=C([C@@H]1CCc2ccccc2O1)N1CCc2nc[nH]c2C1
InChIInChI=1S/C16H17N3O2/c20-16(19-8-7-12-13(9-19)18-10-17-12)15-6-5-11-3-1-2-4-14(11)21-15/h1-4,10,15H,5-9H2,(H,17,18)/t15-/m0/s1
InChIKeyXECWDSJDADDPBY-HNNXBMFYSA-N
MW283.33 g/mol
LogP1.69
Rot. Bonds1

About [(2S)-3,4-dihydro-2H-chromen-2-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone

[(2S)-3,4-dihydro-2H-chromen-2-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone (PubChem CID 97437981) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is [(2S)-3,4-dihydro-2H-chromen-2-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone.

Molecular Properties

Compound Name[(2S)-3,4-dihydro-2H-chromen-2-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
PubChem CID97437981
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name[(2S)-3,4-dihydro-2H-chromen-2-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
SMILESO=C([C@@H]1CCc2ccccc2O1)N1CCc2nc[nH]c2C1
InChIInChI=1S/C16H17N3O2/c20-16(19-8-7-12-13(9-19)18-10-17-12)15-6-5-11-3-1-2-4-14(11)21-15/h1-4,10,15H,5-9H2,(H,17,18)/t15-/m0/s1
InChIKeyXECWDSJDADDPBY-HNNXBMFYSA-N
XLogP1.69
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S)-3,4-dihydro-2H-chromen-2-yl]-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone
CID 95725078
[(2S)-2,3-dihydro-1-benzofuran-2-yl]-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone
CID 99936128
3,4-dihydro-2H-chromen-2-yl-(3-pyrazol-1-ylazetidin-1-yl)methanone
CID 126900108
3,4-dihydro-2H-chromen-2-yl-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
CID 163346744
2,2,2-trifluoro-1-[4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl)piperidin-1-yl]ethanone
CID 110712795
3,4-dihydro-2H-chromen-2-yl-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122334181
4-[5-[(2S)-2,3-dihydro-1-benzofuran-2-carbonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzamide
CID 124754292
N-cyclopentyl-N-sulfanyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide
CID 57176280
4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl)-2H-isoquinolin-1-one
CID 154782169
(2S)-2-amino-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-1-one
CID 131000303
N-methyl-N-sulfanyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide
CID 57079776
2-chloro-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone
CID 131057090

Frequently Asked Questions

What is the IUPAC name of [(2S)-3,4-dihydro-2H-chromen-2-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone?
The IUPAC name of [(2S)-3,4-dihydro-2H-chromen-2-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone (CID 97437981) is [(2S)-3,4-dihydro-2H-chromen-2-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone.
What is the SMILES notation for [(2S)-3,4-dihydro-2H-chromen-2-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone?
The canonical SMILES for [(2S)-3,4-dihydro-2H-chromen-2-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone is O=C([C@@H]1CCc2ccccc2O1)N1CCc2nc[nH]c2C1.
What is the InChIKey of [(2S)-3,4-dihydro-2H-chromen-2-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone?
The InChIKey is XECWDSJDADDPBY-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H17N3O2/c20-16(19-8-7-12-13(9-19)18-10-17-12)15-6-5-11-3-1-2-4-14(11)21-15/h1-4,10,15H,5-9H2,(H,17,18)/t15-/m0/s1.
What are the key properties of [(2S)-3,4-dihydro-2H-chromen-2-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone?
[(2S)-3,4-dihydro-2H-chromen-2-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone has a molecular weight of 283.33 g/mol, XLogP of 1.69, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-3,4-dihydro-2H-chromen-2-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone is sourced from PubChem (CID 97437981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).