7-(cyclopropylamino)-5-[6-(hydroxymethyl)indol-1-yl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile

C19H16N6O — CID 70692775

IUPAC7-(cyclopropylamino)-5-[6-(hydroxymethyl)indol-1-yl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESN#Cc1cnn2c(NC3CC3)cc(-n3ccc4ccc(CO)cc43)nc12
InChIInChI=1S/C19H16N6O/c20-9-14-10-21-25-18(22-15-3-4-15)8-17(23-19(14)25)24-6-5-13-2-1-12(11-26)7-16(13)24/h1-2,5-8,10,15,22,26H,3-4,11H2
InChIKeyUYYKRBTVNGXKAC-UHFFFAOYSA-N
MW344.38 g/mol
LogP2.61
Rot. Bonds4

About 7-(cyclopropylamino)-5-[6-(hydroxymethyl)indol-1-yl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile

7-(cyclopropylamino)-5-[6-(hydroxymethyl)indol-1-yl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile (PubChem CID 70692775) has the molecular formula C19H16N6O and a molecular weight of 344.38 g/mol. Its IUPAC name is 7-(cyclopropylamino)-5-[6-(hydroxymethyl)indol-1-yl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile.

Molecular Properties

Compound Name7-(cyclopropylamino)-5-[6-(hydroxymethyl)indol-1-yl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile
PubChem CID70692775
Molecular FormulaC19H16N6O
Molecular Weight344.38 g/mol
Exact Mass344.14
IUPAC Name7-(cyclopropylamino)-5-[6-(hydroxymethyl)indol-1-yl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESN#Cc1cnn2c(NC3CC3)cc(-n3ccc4ccc(CO)cc43)nc12
InChIInChI=1S/C19H16N6O/c20-9-14-10-21-25-18(22-15-3-4-15)8-17(23-19(14)25)24-6-5-13-2-1-12(11-26)7-16(13)24/h1-2,5-8,10,15,22,26H,3-4,11H2
InChIKeyUYYKRBTVNGXKAC-UHFFFAOYSA-N
XLogP2.61
TPSA91.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-(cyclopropylamino)-5-[6-(hydroxymethyl)indol-1-yl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The IUPAC name of 7-(cyclopropylamino)-5-[6-(hydroxymethyl)indol-1-yl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile (CID 70692775) is 7-(cyclopropylamino)-5-[6-(hydroxymethyl)indol-1-yl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile.
What is the SMILES notation for 7-(cyclopropylamino)-5-[6-(hydroxymethyl)indol-1-yl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The canonical SMILES for 7-(cyclopropylamino)-5-[6-(hydroxymethyl)indol-1-yl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile is N#Cc1cnn2c(NC3CC3)cc(-n3ccc4ccc(CO)cc43)nc12.
What is the InChIKey of 7-(cyclopropylamino)-5-[6-(hydroxymethyl)indol-1-yl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The InChIKey is UYYKRBTVNGXKAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6O/c20-9-14-10-21-25-18(22-15-3-4-15)8-17(23-19(14)25)24-6-5-13-2-1-12(11-26)7-16(13)24/h1-2,5-8,10,15,22,26H,3-4,11H2.
What are the key properties of 7-(cyclopropylamino)-5-[6-(hydroxymethyl)indol-1-yl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
7-(cyclopropylamino)-5-[6-(hydroxymethyl)indol-1-yl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile has a molecular weight of 344.38 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyclopropylamino)-5-[6-(hydroxymethyl)indol-1-yl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile is sourced from PubChem (CID 70692775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).