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

C21H19N7O — CID 70688570

IUPACN-[3-[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-1-methylindol-5-yl]acetamide
SMILESCC(=O)Nc1ccc2c(c1)c(-c1cc(NC3CC3)n3ncc(C#N)c3n1)cn2C
InChIInChI=1S/C21H19N7O/c1-12(29)24-15-5-6-19-16(7-15)17(11-27(19)2)18-8-20(25-14-3-4-14)28-21(26-18)13(9-22)10-23-28/h5-8,10-11,14,25H,3-4H2,1-2H3,(H,24,29)
InChIKeyQRFPAAIZIPRHSO-UHFFFAOYSA-N
MW385.43 g/mol
LogP3.29
Rot. Bonds4

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

N-[3-[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-1-methylindol-5-yl]acetamide (PubChem CID 70688570) has the molecular formula C21H19N7O and a molecular weight of 385.43 g/mol. Its IUPAC name is N-[3-[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-1-methylindol-5-yl]acetamide.

Molecular Properties

Compound NameN-[3-[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-1-methylindol-5-yl]acetamide
PubChem CID70688570
Molecular FormulaC21H19N7O
Molecular Weight385.43 g/mol
Exact Mass385.17
IUPAC NameN-[3-[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-1-methylindol-5-yl]acetamide
SMILESCC(=O)Nc1ccc2c(c1)c(-c1cc(NC3CC3)n3ncc(C#N)c3n1)cn2C
InChIInChI=1S/C21H19N7O/c1-12(29)24-15-5-6-19-16(7-15)17(11-27(19)2)18-8-20(25-14-3-4-14)28-21(26-18)13(9-22)10-23-28/h5-8,10-11,14,25H,3-4H2,1-2H3,(H,24,29)
InChIKeyQRFPAAIZIPRHSO-UHFFFAOYSA-N
XLogP3.29
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 ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-1-methylindol-5-yl]acetamide?
The IUPAC name of N-[3-[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-1-methylindol-5-yl]acetamide (CID 70688570) is N-[3-[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-1-methylindol-5-yl]acetamide.
What is the SMILES notation for N-[3-[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-1-methylindol-5-yl]acetamide?
The canonical SMILES for N-[3-[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-1-methylindol-5-yl]acetamide is CC(=O)Nc1ccc2c(c1)c(-c1cc(NC3CC3)n3ncc(C#N)c3n1)cn2C.
What is the InChIKey of N-[3-[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-1-methylindol-5-yl]acetamide?
The InChIKey is QRFPAAIZIPRHSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N7O/c1-12(29)24-15-5-6-19-16(7-15)17(11-27(19)2)18-8-20(25-14-3-4-14)28-21(26-18)13(9-22)10-23-28/h5-8,10-11,14,25H,3-4H2,1-2H3,(H,24,29).
What are the key properties of N-[3-[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-1-methylindol-5-yl]acetamide?
N-[3-[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-1-methylindol-5-yl]acetamide has a molecular weight of 385.43 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-1-methylindol-5-yl]acetamide is sourced from PubChem (CID 70688570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).