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

C17H22N6O2 — CID 97463185

IUPAC2-[[(6R)-8-(pyrrolidine-1-carbonyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]pyridazin-3-one
SMILESO=C(N1CCCC1)N1Cc2nccn2C[C@@H](Cn2ncccc2=O)C1
InChIInChI=1S/C17H22N6O2/c24-16-4-3-5-19-23(16)12-14-10-21-9-6-18-15(21)13-22(11-14)17(25)20-7-1-2-8-20/h3-6,9,14H,1-2,7-8,10-13H2/t14-/m1/s1
InChIKeyXBBPYMSHELGZLH-CQSZACIVSA-N
MW342.40 g/mol
LogP0.79
Rot. Bonds2

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

2-[[(6R)-8-(pyrrolidine-1-carbonyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]pyridazin-3-one (PubChem CID 97463185) has the molecular formula C17H22N6O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is 2-[[(6R)-8-(pyrrolidine-1-carbonyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name2-[[(6R)-8-(pyrrolidine-1-carbonyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]pyridazin-3-one
PubChem CID97463185
Molecular FormulaC17H22N6O2
Molecular Weight342.40 g/mol
Exact Mass342.18
IUPAC Name2-[[(6R)-8-(pyrrolidine-1-carbonyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]pyridazin-3-one
SMILESO=C(N1CCCC1)N1Cc2nccn2C[C@@H](Cn2ncccc2=O)C1
InChIInChI=1S/C17H22N6O2/c24-16-4-3-5-19-23(16)12-14-10-21-9-6-18-15(21)13-22(11-14)17(25)20-7-1-2-8-20/h3-6,9,14H,1-2,7-8,10-13H2/t14-/m1/s1
InChIKeyXBBPYMSHELGZLH-CQSZACIVSA-N
XLogP0.79
TPSA76.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[(6R)-8-(furan-2-carbonyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]pyridazin-3-one
CID 97463163
2-[(8-ethylsulfonyl-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl)methyl]pyridazin-3-one
CID 131658566
2-[[(6R)-8-ethylsulfonyl-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]pyridazin-3-one
CID 97463181
2-[[(6R)-8-(thiophen-3-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]pyridazin-3-one
CID 97463160
furan-3-yl-[(6R)-6-(pyrrolidin-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]methanone
CID 97462802
(1-methylpyrrol-2-yl)-[(6S)-6-(pyrrolidin-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]methanone
CID 97462807
6-[(2-oxopyrrolidin-1-yl)methyl]-N-propan-2-yl-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine-8-carboxamide
CID 134069068
3-[6-(pyrrolidin-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine-8-carbonyl]-1H-pyridazin-6-one
CID 131688554
[(6S)-6-(cyclopropylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-morpholin-4-ylmethanone
CID 97462385
pyrazolo[1,5-a]pyridin-3-yl-[6-(pyrrolidin-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]methanone
CID 131688415
2-(cyclopropylmethyl)pyridazin-3-one
CID 72682825
2-ethoxy-1-[6-(pyrrolidin-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]ethanone
CID 118744940

Frequently Asked Questions

What is the IUPAC name of 2-[[(6R)-8-(pyrrolidine-1-carbonyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]pyridazin-3-one?
The IUPAC name of 2-[[(6R)-8-(pyrrolidine-1-carbonyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]pyridazin-3-one (CID 97463185) is 2-[[(6R)-8-(pyrrolidine-1-carbonyl)-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-(pyrrolidine-1-carbonyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]pyridazin-3-one?
The canonical SMILES for 2-[[(6R)-8-(pyrrolidine-1-carbonyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]pyridazin-3-one is O=C(N1CCCC1)N1Cc2nccn2C[C@@H](Cn2ncccc2=O)C1.
What is the InChIKey of 2-[[(6R)-8-(pyrrolidine-1-carbonyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]pyridazin-3-one?
The InChIKey is XBBPYMSHELGZLH-CQSZACIVSA-N. The full InChI is InChI=1S/C17H22N6O2/c24-16-4-3-5-19-23(16)12-14-10-21-9-6-18-15(21)13-22(11-14)17(25)20-7-1-2-8-20/h3-6,9,14H,1-2,7-8,10-13H2/t14-/m1/s1.
What are the key properties of 2-[[(6R)-8-(pyrrolidine-1-carbonyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]pyridazin-3-one?
2-[[(6R)-8-(pyrrolidine-1-carbonyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]pyridazin-3-one has a molecular weight of 342.40 g/mol, XLogP of 0.79, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(6R)-8-(pyrrolidine-1-carbonyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]pyridazin-3-one is sourced from PubChem (CID 97463185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).