2-[[(6R)-8-(2-cyclopropylacetyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]pyridazin-3-one

C17H21N5O2 — CID 97463173

IUPAC2-[[(6R)-8-(2-cyclopropylacetyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]pyridazin-3-one
SMILESO=C(CC1CC1)N1Cc2nccn2C[C@@H](Cn2ncccc2=O)C1
InChIInChI=1S/C17H21N5O2/c23-16-2-1-5-19-22(16)11-14-9-20-7-6-18-15(20)12-21(10-14)17(24)8-13-3-4-13/h1-2,5-7,13-14H,3-4,8-12H2/t14-/m1/s1
InChIKeyVCMVEJXAGSTBSZ-CQSZACIVSA-N
MW327.39 g/mol
LogP0.90
Rot. Bonds4

About 2-[[(6R)-8-(2-cyclopropylacetyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]pyridazin-3-one

2-[[(6R)-8-(2-cyclopropylacetyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]pyridazin-3-one (PubChem CID 97463173) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is 2-[[(6R)-8-(2-cyclopropylacetyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name2-[[(6R)-8-(2-cyclopropylacetyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]pyridazin-3-one
PubChem CID97463173
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Name2-[[(6R)-8-(2-cyclopropylacetyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]pyridazin-3-one
SMILESO=C(CC1CC1)N1Cc2nccn2C[C@@H](Cn2ncccc2=O)C1
InChIInChI=1S/C17H21N5O2/c23-16-2-1-5-19-22(16)11-14-9-20-7-6-18-15(20)12-21(10-14)17(24)8-13-3-4-13/h1-2,5-7,13-14H,3-4,8-12H2/t14-/m1/s1
InChIKeyVCMVEJXAGSTBSZ-CQSZACIVSA-N
XLogP0.90
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[(6R)-8-(2-cyclopropylacetyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]pyridazin-3-one?
The IUPAC name of 2-[[(6R)-8-(2-cyclopropylacetyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]pyridazin-3-one (CID 97463173) is 2-[[(6R)-8-(2-cyclopropylacetyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]pyridazin-3-one.
What is the SMILES notation for 2-[[(6R)-8-(2-cyclopropylacetyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]pyridazin-3-one?
The canonical SMILES for 2-[[(6R)-8-(2-cyclopropylacetyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]pyridazin-3-one is O=C(CC1CC1)N1Cc2nccn2C[C@@H](Cn2ncccc2=O)C1.
What is the InChIKey of 2-[[(6R)-8-(2-cyclopropylacetyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]pyridazin-3-one?
The InChIKey is VCMVEJXAGSTBSZ-CQSZACIVSA-N. The full InChI is InChI=1S/C17H21N5O2/c23-16-2-1-5-19-22(16)11-14-9-20-7-6-18-15(20)12-21(10-14)17(24)8-13-3-4-13/h1-2,5-7,13-14H,3-4,8-12H2/t14-/m1/s1.
What are the key properties of 2-[[(6R)-8-(2-cyclopropylacetyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]pyridazin-3-one?
2-[[(6R)-8-(2-cyclopropylacetyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]pyridazin-3-one has a molecular weight of 327.39 g/mol, XLogP of 0.90, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(6R)-8-(2-cyclopropylacetyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]pyridazin-3-one is sourced from PubChem (CID 97463173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).