(4R)-4-pyrrolidin-1-yl-1-(5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl)pentan-1-one

C16H26N4O — CID 95711935

IUPAC(4R)-4-pyrrolidin-1-yl-1-(5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl)pentan-1-one
SMILESC[C@H](CCC(=O)N1CCCn2cncc2C1)N1CCCC1
InChIInChI=1S/C16H26N4O/c1-14(18-7-2-3-8-18)5-6-16(21)19-9-4-10-20-13-17-11-15(20)12-19/h11,13-14H,2-10,12H2,1H3/t14-/m1/s1
InChIKeyDFAQCQIUAYXZEQ-CQSZACIVSA-N
MW290.41 g/mol
LogP1.88
Rot. Bonds4

About (4R)-4-pyrrolidin-1-yl-1-(5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl)pentan-1-one

(4R)-4-pyrrolidin-1-yl-1-(5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl)pentan-1-one (PubChem CID 95711935) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is (4R)-4-pyrrolidin-1-yl-1-(5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl)pentan-1-one.

Molecular Properties

Compound Name(4R)-4-pyrrolidin-1-yl-1-(5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl)pentan-1-one
PubChem CID95711935
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name(4R)-4-pyrrolidin-1-yl-1-(5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl)pentan-1-one
SMILESC[C@H](CCC(=O)N1CCCn2cncc2C1)N1CCCC1
InChIInChI=1S/C16H26N4O/c1-14(18-7-2-3-8-18)5-6-16(21)19-9-4-10-20-13-17-11-15(20)12-19/h11,13-14H,2-10,12H2,1H3/t14-/m1/s1
InChIKeyDFAQCQIUAYXZEQ-CQSZACIVSA-N
XLogP1.88
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4R)-4-pyrrolidin-1-yl-1-(5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl)pentan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4R)-4-pyrrolidin-1-yl-1-(5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl)pentan-1-one?
The IUPAC name of (4R)-4-pyrrolidin-1-yl-1-(5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl)pentan-1-one (CID 95711935) is (4R)-4-pyrrolidin-1-yl-1-(5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl)pentan-1-one.
What is the SMILES notation for (4R)-4-pyrrolidin-1-yl-1-(5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl)pentan-1-one?
The canonical SMILES for (4R)-4-pyrrolidin-1-yl-1-(5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl)pentan-1-one is C[C@H](CCC(=O)N1CCCn2cncc2C1)N1CCCC1.
What is the InChIKey of (4R)-4-pyrrolidin-1-yl-1-(5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl)pentan-1-one?
The InChIKey is DFAQCQIUAYXZEQ-CQSZACIVSA-N. The full InChI is InChI=1S/C16H26N4O/c1-14(18-7-2-3-8-18)5-6-16(21)19-9-4-10-20-13-17-11-15(20)12-19/h11,13-14H,2-10,12H2,1H3/t14-/m1/s1.
What are the key properties of (4R)-4-pyrrolidin-1-yl-1-(5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl)pentan-1-one?
(4R)-4-pyrrolidin-1-yl-1-(5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl)pentan-1-one has a molecular weight of 290.41 g/mol, XLogP of 1.88, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-pyrrolidin-1-yl-1-(5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl)pentan-1-one is sourced from PubChem (CID 95711935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).