N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine

C24H26N4O3 — CID 4897160

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCOc1ccc(CCNc2cc(C)nc3c(-c4ccccc4OC)cnn23)cc1OC
InChIInChI=1S/C24H26N4O3/c1-16-13-23(25-12-11-17-9-10-21(30-3)22(14-17)31-4)28-24(27-16)19(15-26-28)18-7-5-6-8-20(18)29-2/h5-10,13-15,25H,11-12H2,1-4H3
InChIKeyLATDHIWKIFPLBN-UHFFFAOYSA-N
MW418.50 g/mol
LogP4.39
Rot. Bonds8

About N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine

N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 4897160) has the molecular formula C24H26N4O3 and a molecular weight of 418.50 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID4897160
Molecular FormulaC24H26N4O3
Molecular Weight418.50 g/mol
Exact Mass418.20
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCOc1ccc(CCNc2cc(C)nc3c(-c4ccccc4OC)cnn23)cc1OC
InChIInChI=1S/C24H26N4O3/c1-16-13-23(25-12-11-17-9-10-21(30-3)22(14-17)31-4)28-24(27-16)19(15-26-28)18-7-5-6-8-20(18)29-2/h5-10,13-15,25H,11-12H2,1-4H3
InChIKeyLATDHIWKIFPLBN-UHFFFAOYSA-N
XLogP4.39
TPSA69.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine (CID 4897160) is N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine is COc1ccc(CCNc2cc(C)nc3c(-c4ccccc4OC)cnn23)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is LATDHIWKIFPLBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3/c1-16-13-23(25-12-11-17-9-10-21(30-3)22(14-17)31-4)28-24(27-16)19(15-26-28)18-7-5-6-8-20(18)29-2/h5-10,13-15,25H,11-12H2,1-4H3.
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine?
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 418.50 g/mol, XLogP of 4.39, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 4897160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).