N-[1-[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-5-methylindol-6-yl]acetamide

C21H19N7O — CID 70688569

IUPACN-[1-[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-5-methylindol-6-yl]acetamide
SMILESCC(=O)Nc1cc2c(ccn2-c2cc(NC3CC3)n3ncc(C#N)c3n2)cc1C
InChIInChI=1S/C21H19N7O/c1-12-7-14-5-6-27(18(14)8-17(12)24-13(2)29)19-9-20(25-16-3-4-16)28-21(26-19)15(10-22)11-23-28/h5-9,11,16,25H,3-4H2,1-2H3,(H,24,29)
InChIKeyVTLVHYIODZODFB-UHFFFAOYSA-N
MW385.43 g/mol
LogP3.39
Rot. Bonds4

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

N-[1-[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-5-methylindol-6-yl]acetamide (PubChem CID 70688569) has the molecular formula C21H19N7O and a molecular weight of 385.43 g/mol. Its IUPAC name is N-[1-[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-5-methylindol-6-yl]acetamide.

Molecular Properties

Compound NameN-[1-[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-5-methylindol-6-yl]acetamide
PubChem CID70688569
Molecular FormulaC21H19N7O
Molecular Weight385.43 g/mol
Exact Mass385.17
IUPAC NameN-[1-[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-5-methylindol-6-yl]acetamide
SMILESCC(=O)Nc1cc2c(ccn2-c2cc(NC3CC3)n3ncc(C#N)c3n2)cc1C
InChIInChI=1S/C21H19N7O/c1-12-7-14-5-6-27(18(14)8-17(12)24-13(2)29)19-9-20(25-16-3-4-16)28-21(26-19)15(10-22)11-23-28/h5-9,11,16,25H,3-4H2,1-2H3,(H,24,29)
InChIKeyVTLVHYIODZODFB-UHFFFAOYSA-N
XLogP3.39
TPSA100.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.43
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[1-[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-5-methylindol-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-[1-[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-5-methylindol-6-yl]acetamide?
The IUPAC name of N-[1-[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-5-methylindol-6-yl]acetamide (CID 70688569) is N-[1-[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-5-methylindol-6-yl]acetamide.
What is the SMILES notation for N-[1-[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-5-methylindol-6-yl]acetamide?
The canonical SMILES for N-[1-[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-5-methylindol-6-yl]acetamide is CC(=O)Nc1cc2c(ccn2-c2cc(NC3CC3)n3ncc(C#N)c3n2)cc1C.
What is the InChIKey of N-[1-[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-5-methylindol-6-yl]acetamide?
The InChIKey is VTLVHYIODZODFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N7O/c1-12-7-14-5-6-27(18(14)8-17(12)24-13(2)29)19-9-20(25-16-3-4-16)28-21(26-19)15(10-22)11-23-28/h5-9,11,16,25H,3-4H2,1-2H3,(H,24,29).
What are the key properties of N-[1-[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-5-methylindol-6-yl]acetamide?
N-[1-[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-5-methylindol-6-yl]acetamide has a molecular weight of 385.43 g/mol, XLogP of 3.39, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-5-methylindol-6-yl]acetamide is sourced from PubChem (CID 70688569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).