5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl(4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl)methanone

C14H18N6O — CID 70713382

IUPAC5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl(4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl)methanone
SMILESO=C(C1NCCc2[nH]cnc21)N1CCCn2cncc2C1
InChIInChI=1S/C14H18N6O/c21-14(13-12-11(2-3-16-13)17-8-18-12)19-4-1-5-20-9-15-6-10(20)7-19/h6,8-9,13,16H,1-5,7H2,(H,17,18)
InChIKeyQDGQBWKQUYGFBW-UHFFFAOYSA-N
MW286.34 g/mol
LogP0.23
Rot. Bonds1

About 5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl(4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl)methanone

5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl(4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl)methanone (PubChem CID 70713382) has the molecular formula C14H18N6O and a molecular weight of 286.34 g/mol. Its IUPAC name is 5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl(4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl)methanone.

Molecular Properties

Compound Name5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl(4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl)methanone
PubChem CID70713382
Molecular FormulaC14H18N6O
Molecular Weight286.34 g/mol
Exact Mass286.15
IUPAC Name5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl(4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl)methanone
SMILESO=C(C1NCCc2[nH]cnc21)N1CCCn2cncc2C1
InChIInChI=1S/C14H18N6O/c21-14(13-12-11(2-3-16-13)17-8-18-12)19-4-1-5-20-9-15-6-10(20)7-19/h6,8-9,13,16H,1-5,7H2,(H,17,18)
InChIKeyQDGQBWKQUYGFBW-UHFFFAOYSA-N
XLogP0.23
TPSA78.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl(4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl(4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl)methanone?
The IUPAC name of 5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl(4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl)methanone (CID 70713382) is 5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl(4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl)methanone.
What is the SMILES notation for 5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl(4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl)methanone?
The canonical SMILES for 5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl(4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl)methanone is O=C(C1NCCc2[nH]cnc21)N1CCCn2cncc2C1.
What is the InChIKey of 5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl(4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl)methanone?
The InChIKey is QDGQBWKQUYGFBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O/c21-14(13-12-11(2-3-16-13)17-8-18-12)19-4-1-5-20-9-15-6-10(20)7-19/h6,8-9,13,16H,1-5,7H2,(H,17,18).
What are the key properties of 5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl(4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl)methanone?
5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl(4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl)methanone has a molecular weight of 286.34 g/mol, XLogP of 0.23, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl(4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl)methanone is sourced from PubChem (CID 70713382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).