8-N-cyclopentyl-6-N-(cyclopropylmethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-6,8-dicarboxamide

C18H27N5O2 — CID 118740799

IUPAC8-N-cyclopentyl-6-N-(cyclopropylmethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-6,8-dicarboxamide
SMILESO=C(NCC1CC1)C1CN(C(=O)NC2CCCC2)Cc2cncn2C1
InChIInChI=1S/C18H27N5O2/c24-17(20-7-13-5-6-13)14-9-22(11-16-8-19-12-23(16)10-14)18(25)21-15-3-1-2-4-15/h8,12-15H,1-7,9-11H2,(H,20,24)(H,21,25)
InChIKeyWRFRAIJKKSTTDM-UHFFFAOYSA-N
MW345.45 g/mol
LogP1.49
Rot. Bonds4

About 8-N-cyclopentyl-6-N-(cyclopropylmethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-6,8-dicarboxamide

8-N-cyclopentyl-6-N-(cyclopropylmethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-6,8-dicarboxamide (PubChem CID 118740799) has the molecular formula C18H27N5O2 and a molecular weight of 345.45 g/mol. Its IUPAC name is 8-N-cyclopentyl-6-N-(cyclopropylmethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-6,8-dicarboxamide.

Molecular Properties

Compound Name8-N-cyclopentyl-6-N-(cyclopropylmethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-6,8-dicarboxamide
PubChem CID118740799
Molecular FormulaC18H27N5O2
Molecular Weight345.45 g/mol
Exact Mass345.22
IUPAC Name8-N-cyclopentyl-6-N-(cyclopropylmethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-6,8-dicarboxamide
SMILESO=C(NCC1CC1)C1CN(C(=O)NC2CCCC2)Cc2cncn2C1
InChIInChI=1S/C18H27N5O2/c24-17(20-7-13-5-6-13)14-9-22(11-16-8-19-12-23(16)10-14)18(25)21-15-3-1-2-4-15/h8,12-15H,1-7,9-11H2,(H,20,24)(H,21,25)
InChIKeyWRFRAIJKKSTTDM-UHFFFAOYSA-N
XLogP1.49
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-N-cyclopentyl-6-N-(cyclopropylmethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-6,8-dicarboxamide?
The IUPAC name of 8-N-cyclopentyl-6-N-(cyclopropylmethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-6,8-dicarboxamide (CID 118740799) is 8-N-cyclopentyl-6-N-(cyclopropylmethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-6,8-dicarboxamide.
What is the SMILES notation for 8-N-cyclopentyl-6-N-(cyclopropylmethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-6,8-dicarboxamide?
The canonical SMILES for 8-N-cyclopentyl-6-N-(cyclopropylmethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-6,8-dicarboxamide is O=C(NCC1CC1)C1CN(C(=O)NC2CCCC2)Cc2cncn2C1.
What is the InChIKey of 8-N-cyclopentyl-6-N-(cyclopropylmethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-6,8-dicarboxamide?
The InChIKey is WRFRAIJKKSTTDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O2/c24-17(20-7-13-5-6-13)14-9-22(11-16-8-19-12-23(16)10-14)18(25)21-15-3-1-2-4-15/h8,12-15H,1-7,9-11H2,(H,20,24)(H,21,25).
What are the key properties of 8-N-cyclopentyl-6-N-(cyclopropylmethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-6,8-dicarboxamide?
8-N-cyclopentyl-6-N-(cyclopropylmethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-6,8-dicarboxamide has a molecular weight of 345.45 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N-cyclopentyl-6-N-(cyclopropylmethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-6,8-dicarboxamide is sourced from PubChem (CID 118740799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).