3-(3,4-dimethoxyphenyl)-2,5-dimethyl-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine

C22H23N5O2 — CID 4904786

IUPAC3-(3,4-dimethoxyphenyl)-2,5-dimethyl-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCOc1ccc(-c2c(C)nn3c(NCc4ccccn4)cc(C)nc23)cc1OC
InChIInChI=1S/C22H23N5O2/c1-14-11-20(24-13-17-7-5-6-10-23-17)27-22(25-14)21(15(2)26-27)16-8-9-18(28-3)19(12-16)29-4/h5-12,24H,13H2,1-4H3
InChIKeyKZNLFTCAGUPSBF-UHFFFAOYSA-N
MW389.46 g/mol
LogP4.04
Rot. Bonds6

About 3-(3,4-dimethoxyphenyl)-2,5-dimethyl-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine

3-(3,4-dimethoxyphenyl)-2,5-dimethyl-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 4904786) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-2,5-dimethyl-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-2,5-dimethyl-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID4904786
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC Name3-(3,4-dimethoxyphenyl)-2,5-dimethyl-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCOc1ccc(-c2c(C)nn3c(NCc4ccccn4)cc(C)nc23)cc1OC
InChIInChI=1S/C22H23N5O2/c1-14-11-20(24-13-17-7-5-6-10-23-17)27-22(25-14)21(15(2)26-27)16-8-9-18(28-3)19(12-16)29-4/h5-12,24H,13H2,1-4H3
InChIKeyKZNLFTCAGUPSBF-UHFFFAOYSA-N
XLogP4.04
TPSA73.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-2,5-dimethyl-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-2,5-dimethyl-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 4904786) is 3-(3,4-dimethoxyphenyl)-2,5-dimethyl-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-2,5-dimethyl-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-2,5-dimethyl-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine is COc1ccc(-c2c(C)nn3c(NCc4ccccn4)cc(C)nc23)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-2,5-dimethyl-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is KZNLFTCAGUPSBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c1-14-11-20(24-13-17-7-5-6-10-23-17)27-22(25-14)21(15(2)26-27)16-8-9-18(28-3)19(12-16)29-4/h5-12,24H,13H2,1-4H3.
What are the key properties of 3-(3,4-dimethoxyphenyl)-2,5-dimethyl-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
3-(3,4-dimethoxyphenyl)-2,5-dimethyl-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 389.46 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-2,5-dimethyl-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 4904786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).