N-[4-[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-2,3-dihydro-1,4-benzoxazin-6-yl]acetamide

C20H19N7O2 — CID 70692774

IUPACN-[4-[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-2,3-dihydro-1,4-benzoxazin-6-yl]acetamide
SMILESCC(=O)Nc1ccc2c(c1)N(c1cc(NC3CC3)n3ncc(C#N)c3n1)CCO2
InChIInChI=1S/C20H19N7O2/c1-12(28)23-15-4-5-17-16(8-15)26(6-7-29-17)18-9-19(24-14-2-3-14)27-20(25-18)13(10-21)11-22-27/h4-5,8-9,11,14,24H,2-3,6-7H2,1H3,(H,23,28)
InChIKeyLGRLBWYRAJOCHJ-UHFFFAOYSA-N
MW389.42 g/mol
LogP2.66
Rot. Bonds4

About N-[4-[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-2,3-dihydro-1,4-benzoxazin-6-yl]acetamide

N-[4-[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-2,3-dihydro-1,4-benzoxazin-6-yl]acetamide (PubChem CID 70692774) has the molecular formula C20H19N7O2 and a molecular weight of 389.42 g/mol. Its IUPAC name is N-[4-[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-2,3-dihydro-1,4-benzoxazin-6-yl]acetamide.

Molecular Properties

Compound NameN-[4-[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-2,3-dihydro-1,4-benzoxazin-6-yl]acetamide
PubChem CID70692774
Molecular FormulaC20H19N7O2
Molecular Weight389.42 g/mol
Exact Mass389.16
IUPAC NameN-[4-[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-2,3-dihydro-1,4-benzoxazin-6-yl]acetamide
SMILESCC(=O)Nc1ccc2c(c1)N(c1cc(NC3CC3)n3ncc(C#N)c3n1)CCO2
InChIInChI=1S/C20H19N7O2/c1-12(28)23-15-4-5-17-16(8-15)26(6-7-29-17)18-9-19(24-14-2-3-14)27-20(25-18)13(10-21)11-22-27/h4-5,8-9,11,14,24H,2-3,6-7H2,1H3,(H,23,28)
InChIKeyLGRLBWYRAJOCHJ-UHFFFAOYSA-N
XLogP2.66
TPSA107.58 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.42
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[4-[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-2,3-dihydro-1,4-benzoxazin-6-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-2,3-dihydro-1,4-benzoxazin-6-yl]acetamide?
The IUPAC name of N-[4-[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-2,3-dihydro-1,4-benzoxazin-6-yl]acetamide (CID 70692774) is N-[4-[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-2,3-dihydro-1,4-benzoxazin-6-yl]acetamide.
What is the SMILES notation for N-[4-[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-2,3-dihydro-1,4-benzoxazin-6-yl]acetamide?
The canonical SMILES for N-[4-[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-2,3-dihydro-1,4-benzoxazin-6-yl]acetamide is CC(=O)Nc1ccc2c(c1)N(c1cc(NC3CC3)n3ncc(C#N)c3n1)CCO2.
What is the InChIKey of N-[4-[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-2,3-dihydro-1,4-benzoxazin-6-yl]acetamide?
The InChIKey is LGRLBWYRAJOCHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N7O2/c1-12(28)23-15-4-5-17-16(8-15)26(6-7-29-17)18-9-19(24-14-2-3-14)27-20(25-18)13(10-21)11-22-27/h4-5,8-9,11,14,24H,2-3,6-7H2,1H3,(H,23,28).
What are the key properties of N-[4-[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-2,3-dihydro-1,4-benzoxazin-6-yl]acetamide?
N-[4-[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-2,3-dihydro-1,4-benzoxazin-6-yl]acetamide has a molecular weight of 389.42 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-2,3-dihydro-1,4-benzoxazin-6-yl]acetamide is sourced from PubChem (CID 70692774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).