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

C16H26N4O — CID 56888257

IUPAC4-pyrrolidin-1-yl-1-(5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl)pentan-1-one
SMILESCC(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
InChIKeyDFAQCQIUAYXZEQ-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.88
Rot. Bonds4

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

4-pyrrolidin-1-yl-1-(5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl)pentan-1-one (PubChem CID 56888257) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 4-pyrrolidin-1-yl-1-(5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl)pentan-1-one.

Molecular Properties

Compound Name4-pyrrolidin-1-yl-1-(5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl)pentan-1-one
PubChem CID56888257
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name4-pyrrolidin-1-yl-1-(5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl)pentan-1-one
SMILESCC(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
InChIKeyDFAQCQIUAYXZEQ-UHFFFAOYSA-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

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Related Compounds

5-Methyl-1-[4-(5-methylimidazol-1-yl)but-2-ynyl]pyrrolidin-2-one
CID 15065555
1-[5-(5-Methylimidazol-1-yl)pent-3-yn-2-yl]pyrrolidin-2-one
CID 15065585
N-cyclopentyl-3-[(dimethylamino)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-7-carboxamide
CID 97466967
N-[(7-acetyl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl)methyl]cyclobutanecarboxamide
CID 97467211
1-[[8-(3-Methylbutanoyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]pyrrolidin-2-one
CID 97519482
8-N-cyclopentyl-6-N-(cyclopropylmethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-6,8-dicarboxamide
CID 118740799
8-[(3,5-dimethyl-4,5-dihydro-5-isoxazolyl)carbonyl]-6,7,8,9-tetrahydro-5H-imidazo[1,5-a][1,4]diazepine
CID 56895666
(4S)-1-cyclopropyl-4-[[2-(dimethylamino)-3-methylimidazol-4-yl]methylamino]pyrrolidin-2-one
CID 164635297
1-[(2S)-2-(6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl)pyrrolidin-1-yl]butan-1-one
CID 164638352
4-(fluoromethyl)-1-{1-[(1-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl}pyrrolidin-2-one
CID 126899862
1-{1-[(1-cyclopropyl-1H-imidazol-5-yl)methyl]piperidin-4-yl}-4-(fluoromethyl)pyrrolidin-2-one
CID 126899863
(5S)-1-(2-fluoroethyl)-9-[(3-methylimidazol-4-yl)methyl]-1,9-diazaspiro[4.6]undecan-2-one
CID 129546581

Frequently Asked Questions

What is the IUPAC name of 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 4-pyrrolidin-1-yl-1-(5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl)pentan-1-one (CID 56888257) is 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 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 4-pyrrolidin-1-yl-1-(5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl)pentan-1-one is CC(CCC(=O)N1CCCn2cncc2C1)N1CCCC1.
What is the InChIKey of 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-UHFFFAOYSA-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.
What are the key properties of 4-pyrrolidin-1-yl-1-(5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl)pentan-1-one?
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 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 56888257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).