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

C19H16N8O — CID 70686473

IUPACN-[1-[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]indazol-6-yl]acetamide
SMILESCC(=O)Nc1ccc2cnn(-c3cc(NC4CC4)n4ncc(C#N)c4n3)c2c1
InChIInChI=1S/C19H16N8O/c1-11(28)23-15-3-2-12-9-21-26(16(12)6-15)18-7-17(24-14-4-5-14)27-19(25-18)13(8-20)10-22-27/h2-3,6-7,9-10,14,24H,4-5H2,1H3,(H,23,28)
InChIKeyFQGPBKNLANMDDC-UHFFFAOYSA-N
MW372.39 g/mol
LogP2.47
Rot. Bonds4

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

N-[1-[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]indazol-6-yl]acetamide (PubChem CID 70686473) has the molecular formula C19H16N8O and a molecular weight of 372.39 g/mol. Its IUPAC name is N-[1-[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]indazol-6-yl]acetamide.

Molecular Properties

Compound NameN-[1-[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]indazol-6-yl]acetamide
PubChem CID70686473
Molecular FormulaC19H16N8O
Molecular Weight372.39 g/mol
Exact Mass372.14
IUPAC NameN-[1-[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]indazol-6-yl]acetamide
SMILESCC(=O)Nc1ccc2cnn(-c3cc(NC4CC4)n4ncc(C#N)c4n3)c2c1
InChIInChI=1S/C19H16N8O/c1-11(28)23-15-3-2-12-9-21-26(16(12)6-15)18-7-17(24-14-4-5-14)27-19(25-18)13(8-20)10-22-27/h2-3,6-7,9-10,14,24H,4-5H2,1H3,(H,23,28)
InChIKeyFQGPBKNLANMDDC-UHFFFAOYSA-N
XLogP2.47
TPSA112.93 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.39
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[1-[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]indazol-6-yl]acetamide?
The IUPAC name of N-[1-[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]indazol-6-yl]acetamide (CID 70686473) is N-[1-[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]indazol-6-yl]acetamide.
What is the SMILES notation for N-[1-[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]indazol-6-yl]acetamide?
The canonical SMILES for N-[1-[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]indazol-6-yl]acetamide is CC(=O)Nc1ccc2cnn(-c3cc(NC4CC4)n4ncc(C#N)c4n3)c2c1.
What is the InChIKey of N-[1-[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]indazol-6-yl]acetamide?
The InChIKey is FQGPBKNLANMDDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N8O/c1-11(28)23-15-3-2-12-9-21-26(16(12)6-15)18-7-17(24-14-4-5-14)27-19(25-18)13(8-20)10-22-27/h2-3,6-7,9-10,14,24H,4-5H2,1H3,(H,23,28).
What are the key properties of N-[1-[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]indazol-6-yl]acetamide?
N-[1-[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]indazol-6-yl]acetamide has a molecular weight of 372.39 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 8 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]indazol-6-yl]acetamide is sourced from PubChem (CID 70686473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).