3-(3,4-dimethoxyphenyl)-N-[2-(2,4-dimethoxyphenyl)ethyl]-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine;3-(3,4-dimethoxyphenyl)-2,5-dimethyl-N-(2-phenylpropyl)pyrazolo[1,5-a]pyrimidin-7-amine

C51H58N8O6 — CID 118255780

IUPAC3-(3,4-dimethoxyphenyl)-N-[2-(2,4-dimethoxyphenyl)ethyl]-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine;3-(3,4-dimethoxyphenyl)-2,5-dimethyl-N-(2-phenylpropyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCOc1ccc(-c2c(C)nn3c(NCC(C)c4ccccc4)cc(C)nc23)cc1OC.COc1ccc(CCNc2cc(C)nc3c(-c4ccc(OC)c(OC)c4)c(C)nn23)c(OC)c1
InChIInChI=1S/C26H30N4O4.C25H28N4O2/c1-16-13-24(27-12-11-18-7-9-20(31-3)15-22(18)33-5)30-26(28-16)25(17(2)29-30)19-8-10-21(32-4)23(14-19)34-6;1-16(19-9-7-6-8-10-19)15-26-23-13-17(2)27-25-24(18(3)28-29(23)25)20-11-12-21(30-4)22(14-20)31-5/h7-10,13-15,27H,11-12H2,1-6H3;6-14,16,26H,15H2,1-5H3
InChIKeyKEMNYEQBRMKFGR-UHFFFAOYSA-N
MW879.08 g/mol
LogP9.95
Rot. Bonds16

About 3-(3,4-dimethoxyphenyl)-N-[2-(2,4-dimethoxyphenyl)ethyl]-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine;3-(3,4-dimethoxyphenyl)-2,5-dimethyl-N-(2-phenylpropyl)pyrazolo[1,5-a]pyrimidin-7-amine

3-(3,4-dimethoxyphenyl)-N-[2-(2,4-dimethoxyphenyl)ethyl]-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine;3-(3,4-dimethoxyphenyl)-2,5-dimethyl-N-(2-phenylpropyl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 118255780) has the molecular formula C51H58N8O6 and a molecular weight of 879.08 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-N-[2-(2,4-dimethoxyphenyl)ethyl]-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine;3-(3,4-dimethoxyphenyl)-2,5-dimethyl-N-(2-phenylpropyl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-N-[2-(2,4-dimethoxyphenyl)ethyl]-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine;3-(3,4-dimethoxyphenyl)-2,5-dimethyl-N-(2-phenylpropyl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID118255780
Molecular FormulaC51H58N8O6
Molecular Weight879.08 g/mol
Exact Mass878.45
IUPAC Name3-(3,4-dimethoxyphenyl)-N-[2-(2,4-dimethoxyphenyl)ethyl]-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine;3-(3,4-dimethoxyphenyl)-2,5-dimethyl-N-(2-phenylpropyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCOc1ccc(-c2c(C)nn3c(NCC(C)c4ccccc4)cc(C)nc23)cc1OC.COc1ccc(CCNc2cc(C)nc3c(-c4ccc(OC)c(OC)c4)c(C)nn23)c(OC)c1
InChIInChI=1S/C26H30N4O4.C25H28N4O2/c1-16-13-24(27-12-11-18-7-9-20(31-3)15-22(18)33-5)30-26(28-16)25(17(2)29-30)19-8-10-21(32-4)23(14-19)34-6;1-16(19-9-7-6-8-10-19)15-26-23-13-17(2)27-25-24(18(3)28-29(23)25)20-11-12-21(30-4)22(14-20)31-5/h7-10,13-15,27H,11-12H2,1-6H3;6-14,16,26H,15H2,1-5H3
InChIKeyKEMNYEQBRMKFGR-UHFFFAOYSA-N
XLogP9.95
TPSA139.82 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds16
Heavy Atoms65
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500879.08
LogP ≤ 59.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Analyze 3-(3,4-dimethoxyphenyl)-N-[2-(2,4-dimethoxyphenyl)ethyl]-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine;3-(3,4-dimethoxyphenyl)-2,5-dimethyl-N-(2-phenylpropyl)pyrazolo[1,5-a]pyrimidin-7-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-N-[2-(2,4-dimethoxyphenyl)ethyl]-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine;3-(3,4-dimethoxyphenyl)-2,5-dimethyl-N-(2-phenylpropyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-N-[2-(2,4-dimethoxyphenyl)ethyl]-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine;3-(3,4-dimethoxyphenyl)-2,5-dimethyl-N-(2-phenylpropyl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 118255780) is 3-(3,4-dimethoxyphenyl)-N-[2-(2,4-dimethoxyphenyl)ethyl]-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine;3-(3,4-dimethoxyphenyl)-2,5-dimethyl-N-(2-phenylpropyl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-N-[2-(2,4-dimethoxyphenyl)ethyl]-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine;3-(3,4-dimethoxyphenyl)-2,5-dimethyl-N-(2-phenylpropyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-N-[2-(2,4-dimethoxyphenyl)ethyl]-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine;3-(3,4-dimethoxyphenyl)-2,5-dimethyl-N-(2-phenylpropyl)pyrazolo[1,5-a]pyrimidin-7-amine is COc1ccc(-c2c(C)nn3c(NCC(C)c4ccccc4)cc(C)nc23)cc1OC.COc1ccc(CCNc2cc(C)nc3c(-c4ccc(OC)c(OC)c4)c(C)nn23)c(OC)c1.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-N-[2-(2,4-dimethoxyphenyl)ethyl]-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine;3-(3,4-dimethoxyphenyl)-2,5-dimethyl-N-(2-phenylpropyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is KEMNYEQBRMKFGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O4.C25H28N4O2/c1-16-13-24(27-12-11-18-7-9-20(31-3)15-22(18)33-5)30-26(28-16)25(17(2)29-30)19-8-10-21(32-4)23(14-19)34-6;1-16(19-9-7-6-8-10-19)15-26-23-13-17(2)27-25-24(18(3)28-29(23)25)20-11-12-21(30-4)22(14-20)31-5/h7-10,13-15,27H,11-12H2,1-6H3;6-14,16,26H,15H2,1-5H3.
What are the key properties of 3-(3,4-dimethoxyphenyl)-N-[2-(2,4-dimethoxyphenyl)ethyl]-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine;3-(3,4-dimethoxyphenyl)-2,5-dimethyl-N-(2-phenylpropyl)pyrazolo[1,5-a]pyrimidin-7-amine?
3-(3,4-dimethoxyphenyl)-N-[2-(2,4-dimethoxyphenyl)ethyl]-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine;3-(3,4-dimethoxyphenyl)-2,5-dimethyl-N-(2-phenylpropyl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 879.08 g/mol, XLogP of 9.95, 16 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-N-[2-(2,4-dimethoxyphenyl)ethyl]-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine;3-(3,4-dimethoxyphenyl)-2,5-dimethyl-N-(2-phenylpropyl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 118255780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).