2-[4-(3,4-dihydro-2H-chromen-2-ylmethylamino)butyl]-1-hydroxy-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-one

C21H29N3O3 — CID 91400956

IUPAC2-[4-(3,4-dihydro-2H-chromen-2-ylmethylamino)butyl]-1-hydroxy-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-one
SMILESO=c1n(CCCCNCC2CCc3ccccc3O2)c(O)c2n1CCCC2
InChIInChI=1S/C21H29N3O3/c25-20-18-8-3-5-13-23(18)21(26)24(20)14-6-4-12-22-15-17-11-10-16-7-1-2-9-19(16)27-17/h1-2,7,9,17,22,25H,3-6,8,10-15H2
InChIKeyTUCNIAHIRFQJSH-UHFFFAOYSA-N
MW371.48 g/mol
LogP2.46
Rot. Bonds7

About 2-[4-(3,4-dihydro-2H-chromen-2-ylmethylamino)butyl]-1-hydroxy-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-one

2-[4-(3,4-dihydro-2H-chromen-2-ylmethylamino)butyl]-1-hydroxy-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-one (PubChem CID 91400956) has the molecular formula C21H29N3O3 and a molecular weight of 371.48 g/mol. Its IUPAC name is 2-[4-(3,4-dihydro-2H-chromen-2-ylmethylamino)butyl]-1-hydroxy-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-one.

Molecular Properties

Compound Name2-[4-(3,4-dihydro-2H-chromen-2-ylmethylamino)butyl]-1-hydroxy-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-one
PubChem CID91400956
Molecular FormulaC21H29N3O3
Molecular Weight371.48 g/mol
Exact Mass371.22
IUPAC Name2-[4-(3,4-dihydro-2H-chromen-2-ylmethylamino)butyl]-1-hydroxy-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-one
SMILESO=c1n(CCCCNCC2CCc3ccccc3O2)c(O)c2n1CCCC2
InChIInChI=1S/C21H29N3O3/c25-20-18-8-3-5-13-23(18)21(26)24(20)14-6-4-12-22-15-17-11-10-16-7-1-2-9-19(16)27-17/h1-2,7,9,17,22,25H,3-6,8,10-15H2
InChIKeyTUCNIAHIRFQJSH-UHFFFAOYSA-N
XLogP2.46
TPSA68.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[4-(3,4-dihydro-2H-chromen-2-ylmethylamino)butyl]-4-hydroxy-1,3-thiazol-2-one
CID 90973056
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CID 56850665
9-(3,4-dihydro-2H-chromen-2-ylmethylamino)-1-methylsulfanylnonan-2-one
CID 143619575
3-[5-(3,4-dihydro-2H-chromen-2-ylmethylamino)pentyl]-4-methylidene-1,3-thiazolidin-2-one
CID 89294443
2-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methylamino]-N-[(2-fluorophenyl)methyl]acetamide
CID 50948436
N-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-N'-pyrimidin-2-ylpropane-1,3-diamine
CID 57099977
bis(N-(3,4-dihydro-2H-chromen-2-ylmethyl)-N'-pyrimidin-2-ylpropane-1,3-diamine);hydrate;tetrahydrochloride
CID 67711682
5-(2,3-dihydro-1-benzofuran-2-ylmethylamino)pentanamide
CID 106237490
N-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-1-(2-piperidin-1-ylethyl)triazole-4-carboxamide
CID 42363556
bis(N-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-N'-(1,4,5,6-tetrahydropyrimidin-2-yl)propane-1,3-diamine);hydrate;tetrahydrochloride
CID 131719475
N'-(6-chloropyridazin-3-yl)-N-(3,4-dihydro-2H-chromen-2-ylmethyl)propane-1,3-diamine
CID 18694196
1-[3-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-2-ylmethylamino)propyl]-1,3-diazinan-2-one;oxalic acid
CID 159381920

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,4-dihydro-2H-chromen-2-ylmethylamino)butyl]-1-hydroxy-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-one?
The IUPAC name of 2-[4-(3,4-dihydro-2H-chromen-2-ylmethylamino)butyl]-1-hydroxy-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-one (CID 91400956) is 2-[4-(3,4-dihydro-2H-chromen-2-ylmethylamino)butyl]-1-hydroxy-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-one.
What is the SMILES notation for 2-[4-(3,4-dihydro-2H-chromen-2-ylmethylamino)butyl]-1-hydroxy-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-one?
The canonical SMILES for 2-[4-(3,4-dihydro-2H-chromen-2-ylmethylamino)butyl]-1-hydroxy-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-one is O=c1n(CCCCNCC2CCc3ccccc3O2)c(O)c2n1CCCC2.
What is the InChIKey of 2-[4-(3,4-dihydro-2H-chromen-2-ylmethylamino)butyl]-1-hydroxy-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-one?
The InChIKey is TUCNIAHIRFQJSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O3/c25-20-18-8-3-5-13-23(18)21(26)24(20)14-6-4-12-22-15-17-11-10-16-7-1-2-9-19(16)27-17/h1-2,7,9,17,22,25H,3-6,8,10-15H2.
What are the key properties of 2-[4-(3,4-dihydro-2H-chromen-2-ylmethylamino)butyl]-1-hydroxy-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-one?
2-[4-(3,4-dihydro-2H-chromen-2-ylmethylamino)butyl]-1-hydroxy-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-one has a molecular weight of 371.48 g/mol, XLogP of 2.46, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,4-dihydro-2H-chromen-2-ylmethylamino)butyl]-1-hydroxy-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-one is sourced from PubChem (CID 91400956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).