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

C17H19N3O2 — CID 119066265

IUPAC3,4-dihydro-2H-chromen-6-yl-(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone
SMILESCc1[nH]nc2c1CN(C(=O)c1ccc3c(c1)CCCO3)CC2
InChIInChI=1S/C17H19N3O2/c1-11-14-10-20(7-6-15(14)19-18-11)17(21)13-4-5-16-12(9-13)3-2-8-22-16/h4-5,9H,2-3,6-8,10H2,1H3,(H,18,19)
InChIKeyAQXUZSZVJFTQDR-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.24
Rot. Bonds1

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

3,4-dihydro-2H-chromen-6-yl-(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone (PubChem CID 119066265) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 3,4-dihydro-2H-chromen-6-yl-(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-chromen-6-yl-(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone
PubChem CID119066265
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name3,4-dihydro-2H-chromen-6-yl-(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone
SMILESCc1[nH]nc2c1CN(C(=O)c1ccc3c(c1)CCCO3)CC2
InChIInChI=1S/C17H19N3O2/c1-11-14-10-20(7-6-15(14)19-18-11)17(21)13-4-5-16-12(9-13)3-2-8-22-16/h4-5,9H,2-3,6-8,10H2,1H3,(H,18,19)
InChIKeyAQXUZSZVJFTQDR-UHFFFAOYSA-N
XLogP2.24
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dihydro-2H-chromen-6-yl(piperidin-1-yl)methanone
CID 110693318
2,3-dihydro-1-benzofuran-5-yl(pyrrolidin-1-yl)methanone
CID 60739558
3,4-dihydro-2H-chromen-6-yl-[4-(2-methylbenzoyl)piperazin-1-yl]methanone
CID 110802138
3,4-dihydro-2H-chromen-6-yl-(4-hydroxypiperidin-1-yl)methanone
CID 82485167
3,4-dihydro-2H-chromen-6-yl-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 126432495
3,7-bis(3,4-dihydro-2H-chromene-6-carbonyl)-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-one
CID 142768959
1-(3,4-dihydro-2H-chromene-6-carbonyl)piperidine-4-carboxamide
CID 110693355
2,3-dihydro-1-benzofuran-5-yl-[4-(3-methylbenzoyl)-1,4-diazepan-1-yl]methanone
CID 37439719
5-[4-(3,4-dihydro-2H-chromene-6-carbonyl)-1,4-diazepane-1-carbonyl]pyrrolidin-2-one
CID 110816231
4-(3,4-dihydro-2H-chromene-6-carbonyl)-N-(2,2-dimethylpropyl)-1,4-diazepane-1-carboxamide
CID 110813648
1-[10-(3,4-dihydro-2H-chromene-6-carbonyl)-2,10-diazabicyclo[10.4.0]hexadeca-1(16),12,14-trien-2-yl]-3-methylbutan-1-one
CID 110074406
2,3-dihydro-1-benzofuran-5-yl-[4-(1-methylpyrrole-3-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110816782

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-chromen-6-yl-(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone?
The IUPAC name of 3,4-dihydro-2H-chromen-6-yl-(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone (CID 119066265) is 3,4-dihydro-2H-chromen-6-yl-(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone.
What is the SMILES notation for 3,4-dihydro-2H-chromen-6-yl-(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone?
The canonical SMILES for 3,4-dihydro-2H-chromen-6-yl-(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone is Cc1[nH]nc2c1CN(C(=O)c1ccc3c(c1)CCCO3)CC2.
What is the InChIKey of 3,4-dihydro-2H-chromen-6-yl-(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone?
The InChIKey is AQXUZSZVJFTQDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-11-14-10-20(7-6-15(14)19-18-11)17(21)13-4-5-16-12(9-13)3-2-8-22-16/h4-5,9H,2-3,6-8,10H2,1H3,(H,18,19).
What are the key properties of 3,4-dihydro-2H-chromen-6-yl-(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone?
3,4-dihydro-2H-chromen-6-yl-(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone has a molecular weight of 297.36 g/mol, XLogP of 2.24, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-chromen-6-yl-(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone is sourced from PubChem (CID 119066265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).