N-propan-2-yl-1-(pyrrol-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-8-carboxamide

C16H23N5O — CID 97405503

IUPACN-propan-2-yl-1-(pyrrol-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-8-carboxamide
SMILESCC(C)NC(=O)N1CCCn2cnc(Cn3cccc3)c2C1
InChIInChI=1S/C16H23N5O/c1-13(2)18-16(22)20-8-5-9-21-12-17-14(15(21)11-20)10-19-6-3-4-7-19/h3-4,6-7,12-13H,5,8-11H2,1-2H3,(H,18,22)
InChIKeyLLOIGOLXKUBRST-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.06
Rot. Bonds3

About N-propan-2-yl-1-(pyrrol-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-8-carboxamide

N-propan-2-yl-1-(pyrrol-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-8-carboxamide (PubChem CID 97405503) has the molecular formula C16H23N5O and a molecular weight of 301.39 g/mol. Its IUPAC name is N-propan-2-yl-1-(pyrrol-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-8-carboxamide.

Molecular Properties

Compound NameN-propan-2-yl-1-(pyrrol-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-8-carboxamide
PubChem CID97405503
Molecular FormulaC16H23N5O
Molecular Weight301.39 g/mol
Exact Mass301.19
IUPAC NameN-propan-2-yl-1-(pyrrol-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-8-carboxamide
SMILESCC(C)NC(=O)N1CCCn2cnc(Cn3cccc3)c2C1
InChIInChI=1S/C16H23N5O/c1-13(2)18-16(22)20-8-5-9-21-12-17-14(15(21)11-20)10-19-6-3-4-7-19/h3-4,6-7,12-13H,5,8-11H2,1-2H3,(H,18,22)
InChIKeyLLOIGOLXKUBRST-UHFFFAOYSA-N
XLogP2.06
TPSA55.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-1-(pyrrol-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-8-carboxamide?
The IUPAC name of N-propan-2-yl-1-(pyrrol-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-8-carboxamide (CID 97405503) is N-propan-2-yl-1-(pyrrol-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-8-carboxamide.
What is the SMILES notation for N-propan-2-yl-1-(pyrrol-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-8-carboxamide?
The canonical SMILES for N-propan-2-yl-1-(pyrrol-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-8-carboxamide is CC(C)NC(=O)N1CCCn2cnc(Cn3cccc3)c2C1.
What is the InChIKey of N-propan-2-yl-1-(pyrrol-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-8-carboxamide?
The InChIKey is LLOIGOLXKUBRST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O/c1-13(2)18-16(22)20-8-5-9-21-12-17-14(15(21)11-20)10-19-6-3-4-7-19/h3-4,6-7,12-13H,5,8-11H2,1-2H3,(H,18,22).
What are the key properties of N-propan-2-yl-1-(pyrrol-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-8-carboxamide?
N-propan-2-yl-1-(pyrrol-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-8-carboxamide has a molecular weight of 301.39 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-1-(pyrrol-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-8-carboxamide is sourced from PubChem (CID 97405503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).