8-(3,3-difluorocyclobutanecarbonyl)-N-propan-2-yl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-1-carboxamide

C16H22F2N4O2 — CID 131690703

IUPAC8-(3,3-difluorocyclobutanecarbonyl)-N-propan-2-yl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-1-carboxamide
SMILESCC(C)NC(=O)c1ncn2c1CN(C(=O)C1CC(F)(F)C1)CCC2
InChIInChI=1S/C16H22F2N4O2/c1-10(2)20-14(23)13-12-8-21(4-3-5-22(12)9-19-13)15(24)11-6-16(17,18)7-11/h9-11H,3-8H2,1-2H3,(H,20,23)
InChIKeyMCYUYVAQFVHKNS-UHFFFAOYSA-N
MW340.37 g/mol
LogP1.80
Rot. Bonds3

About 8-(3,3-difluorocyclobutanecarbonyl)-N-propan-2-yl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-1-carboxamide

8-(3,3-difluorocyclobutanecarbonyl)-N-propan-2-yl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-1-carboxamide (PubChem CID 131690703) has the molecular formula C16H22F2N4O2 and a molecular weight of 340.37 g/mol. Its IUPAC name is 8-(3,3-difluorocyclobutanecarbonyl)-N-propan-2-yl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-1-carboxamide.

Molecular Properties

Compound Name8-(3,3-difluorocyclobutanecarbonyl)-N-propan-2-yl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-1-carboxamide
PubChem CID131690703
Molecular FormulaC16H22F2N4O2
Molecular Weight340.37 g/mol
Exact Mass340.17
IUPAC Name8-(3,3-difluorocyclobutanecarbonyl)-N-propan-2-yl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-1-carboxamide
SMILESCC(C)NC(=O)c1ncn2c1CN(C(=O)C1CC(F)(F)C1)CCC2
InChIInChI=1S/C16H22F2N4O2/c1-10(2)20-14(23)13-12-8-21(4-3-5-22(12)9-19-13)15(24)11-6-16(17,18)7-11/h9-11H,3-8H2,1-2H3,(H,20,23)
InChIKeyMCYUYVAQFVHKNS-UHFFFAOYSA-N
XLogP1.80
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.37
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(3,3-difluorocyclobutanecarbonyl)-N-propan-2-yl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-1-carboxamide?
The IUPAC name of 8-(3,3-difluorocyclobutanecarbonyl)-N-propan-2-yl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-1-carboxamide (CID 131690703) is 8-(3,3-difluorocyclobutanecarbonyl)-N-propan-2-yl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-1-carboxamide.
What is the SMILES notation for 8-(3,3-difluorocyclobutanecarbonyl)-N-propan-2-yl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-1-carboxamide?
The canonical SMILES for 8-(3,3-difluorocyclobutanecarbonyl)-N-propan-2-yl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-1-carboxamide is CC(C)NC(=O)c1ncn2c1CN(C(=O)C1CC(F)(F)C1)CCC2.
What is the InChIKey of 8-(3,3-difluorocyclobutanecarbonyl)-N-propan-2-yl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-1-carboxamide?
The InChIKey is MCYUYVAQFVHKNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2N4O2/c1-10(2)20-14(23)13-12-8-21(4-3-5-22(12)9-19-13)15(24)11-6-16(17,18)7-11/h9-11H,3-8H2,1-2H3,(H,20,23).
What are the key properties of 8-(3,3-difluorocyclobutanecarbonyl)-N-propan-2-yl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-1-carboxamide?
8-(3,3-difluorocyclobutanecarbonyl)-N-propan-2-yl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-1-carboxamide has a molecular weight of 340.37 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3,3-difluorocyclobutanecarbonyl)-N-propan-2-yl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-1-carboxamide is sourced from PubChem (CID 131690703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).