3-(2-phenoxyphenyl)-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine

C24H19N5O — CID 46853042

IUPAC3-(2-phenoxyphenyl)-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESc1ccc(Oc2ccccc2-c2cnn3c(NCc4ccccn4)ccnc23)cc1
InChIInChI=1S/C24H19N5O/c1-2-9-19(10-3-1)30-22-12-5-4-11-20(22)21-17-28-29-23(13-15-26-24(21)29)27-16-18-8-6-7-14-25-18/h1-15,17,27H,16H2
InChIKeyGEATUTSFMCBRKE-UHFFFAOYSA-N
MW393.45 g/mol
LogP5.20
Rot. Bonds6

About 3-(2-phenoxyphenyl)-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine

3-(2-phenoxyphenyl)-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 46853042) has the molecular formula C24H19N5O and a molecular weight of 393.45 g/mol. Its IUPAC name is 3-(2-phenoxyphenyl)-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name3-(2-phenoxyphenyl)-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID46853042
Molecular FormulaC24H19N5O
Molecular Weight393.45 g/mol
Exact Mass393.16
IUPAC Name3-(2-phenoxyphenyl)-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESc1ccc(Oc2ccccc2-c2cnn3c(NCc4ccccn4)ccnc23)cc1
InChIInChI=1S/C24H19N5O/c1-2-9-19(10-3-1)30-22-12-5-4-11-20(22)21-17-28-29-23(13-15-26-24(21)29)27-16-18-8-6-7-14-25-18/h1-15,17,27H,16H2
InChIKeyGEATUTSFMCBRKE-UHFFFAOYSA-N
XLogP5.20
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.45
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2-phenoxyphenyl)-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 3-(2-phenoxyphenyl)-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 46853042) is 3-(2-phenoxyphenyl)-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 3-(2-phenoxyphenyl)-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 3-(2-phenoxyphenyl)-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine is c1ccc(Oc2ccccc2-c2cnn3c(NCc4ccccn4)ccnc23)cc1.
What is the InChIKey of 3-(2-phenoxyphenyl)-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is GEATUTSFMCBRKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N5O/c1-2-9-19(10-3-1)30-22-12-5-4-11-20(22)21-17-28-29-23(13-15-26-24(21)29)27-16-18-8-6-7-14-25-18/h1-15,17,27H,16H2.
What are the key properties of 3-(2-phenoxyphenyl)-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
3-(2-phenoxyphenyl)-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 393.45 g/mol, XLogP of 5.20, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenoxyphenyl)-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 46853042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).