2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)acetamide

C19H25N5O — CID 70723918

IUPAC2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)acetamide
SMILESO=C(CN1CCc2ccccc2C1)NCc1cc2n(n1)CCCNC2
InChIInChI=1S/C19H25N5O/c25-19(14-23-9-6-15-4-1-2-5-16(15)13-23)21-11-17-10-18-12-20-7-3-8-24(18)22-17/h1-2,4-5,10,20H,3,6-9,11-14H2,(H,21,25)
InChIKeyFVQJQUPKGWGWLL-UHFFFAOYSA-N
MW339.44 g/mol
LogP1.05
Rot. Bonds4

About 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)acetamide

2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)acetamide (PubChem CID 70723918) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)acetamide
PubChem CID70723918
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)acetamide
SMILESO=C(CN1CCc2ccccc2C1)NCc1cc2n(n1)CCCNC2
InChIInChI=1S/C19H25N5O/c25-19(14-23-9-6-15-4-1-2-5-16(15)13-23)21-11-17-10-18-12-20-7-3-8-24(18)22-17/h1-2,4-5,10,20H,3,6-9,11-14H2,(H,21,25)
InChIKeyFVQJQUPKGWGWLL-UHFFFAOYSA-N
XLogP1.05
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)acetamide?
The IUPAC name of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)acetamide (CID 70723918) is 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)acetamide?
The canonical SMILES for 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)acetamide is O=C(CN1CCc2ccccc2C1)NCc1cc2n(n1)CCCNC2.
What is the InChIKey of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)acetamide?
The InChIKey is FVQJQUPKGWGWLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O/c25-19(14-23-9-6-15-4-1-2-5-16(15)13-23)21-11-17-10-18-12-20-7-3-8-24(18)22-17/h1-2,4-5,10,20H,3,6-9,11-14H2,(H,21,25).
What are the key properties of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)acetamide?
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)acetamide has a molecular weight of 339.44 g/mol, XLogP of 1.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)acetamide is sourced from PubChem (CID 70723918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).