2-cyclopropyl-1-[6-(pyrrolidin-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]ethanone

C17H26N4O — CID 118740929

IUPAC2-cyclopropyl-1-[6-(pyrrolidin-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]ethanone
SMILESO=C(CC1CC1)N1Cc2nccn2CC(CN2CCCC2)C1
InChIInChI=1S/C17H26N4O/c22-17(9-14-3-4-14)21-12-15(10-19-6-1-2-7-19)11-20-8-5-18-16(20)13-21/h5,8,14-15H,1-4,6-7,9-13H2
InChIKeyAAXJURROFRKGCG-UHFFFAOYSA-N
MW302.42 g/mol
LogP1.74
Rot. Bonds4

About 2-cyclopropyl-1-[6-(pyrrolidin-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]ethanone

2-cyclopropyl-1-[6-(pyrrolidin-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]ethanone (PubChem CID 118740929) has the molecular formula C17H26N4O and a molecular weight of 302.42 g/mol. Its IUPAC name is 2-cyclopropyl-1-[6-(pyrrolidin-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]ethanone.

Molecular Properties

Compound Name2-cyclopropyl-1-[6-(pyrrolidin-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]ethanone
PubChem CID118740929
Molecular FormulaC17H26N4O
Molecular Weight302.42 g/mol
Exact Mass302.21
IUPAC Name2-cyclopropyl-1-[6-(pyrrolidin-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]ethanone
SMILESO=C(CC1CC1)N1Cc2nccn2CC(CN2CCCC2)C1
InChIInChI=1S/C17H26N4O/c22-17(9-14-3-4-14)21-12-15(10-19-6-1-2-7-19)11-20-8-5-18-16(20)13-21/h5,8,14-15H,1-4,6-7,9-13H2
InChIKeyAAXJURROFRKGCG-UHFFFAOYSA-N
XLogP1.74
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-[6-(pyrrolidin-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]ethanone?
The IUPAC name of 2-cyclopropyl-1-[6-(pyrrolidin-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]ethanone (CID 118740929) is 2-cyclopropyl-1-[6-(pyrrolidin-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]ethanone.
What is the SMILES notation for 2-cyclopropyl-1-[6-(pyrrolidin-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]ethanone?
The canonical SMILES for 2-cyclopropyl-1-[6-(pyrrolidin-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]ethanone is O=C(CC1CC1)N1Cc2nccn2CC(CN2CCCC2)C1.
What is the InChIKey of 2-cyclopropyl-1-[6-(pyrrolidin-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]ethanone?
The InChIKey is AAXJURROFRKGCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O/c22-17(9-14-3-4-14)21-12-15(10-19-6-1-2-7-19)11-20-8-5-18-16(20)13-21/h5,8,14-15H,1-4,6-7,9-13H2.
What are the key properties of 2-cyclopropyl-1-[6-(pyrrolidin-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]ethanone?
2-cyclopropyl-1-[6-(pyrrolidin-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]ethanone has a molecular weight of 302.42 g/mol, XLogP of 1.74, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-[6-(pyrrolidin-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]ethanone is sourced from PubChem (CID 118740929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).