N,N-dimethyl-4-[7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]aniline

C23H24N4O3 — CID 162649600

IUPACN,N-dimethyl-4-[7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]aniline
SMILESCOc1cc(-c2ccnc3cc(-c4ccc(N(C)C)cc4)nn23)cc(OC)c1OC
InChIInChI=1S/C23H24N4O3/c1-26(2)17-8-6-15(7-9-17)18-14-22-24-11-10-19(27(22)25-18)16-12-20(28-3)23(30-5)21(13-16)29-4/h6-14H,1-5H3
InChIKeyTWRQKIMHNJPCCF-UHFFFAOYSA-N
MW404.47 g/mol
LogP4.16
Rot. Bonds6

About N,N-dimethyl-4-[7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]aniline

N,N-dimethyl-4-[7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]aniline (PubChem CID 162649600) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is N,N-dimethyl-4-[7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-[7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]aniline
PubChem CID162649600
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC NameN,N-dimethyl-4-[7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]aniline
SMILESCOc1cc(-c2ccnc3cc(-c4ccc(N(C)C)cc4)nn23)cc(OC)c1OC
InChIInChI=1S/C23H24N4O3/c1-26(2)17-8-6-15(7-9-17)18-14-22-24-11-10-19(27(22)25-18)16-12-20(28-3)23(30-5)21(13-16)29-4/h6-14H,1-5H3
InChIKeyTWRQKIMHNJPCCF-UHFFFAOYSA-N
XLogP4.16
TPSA61.12 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]aniline?
The IUPAC name of N,N-dimethyl-4-[7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]aniline (CID 162649600) is N,N-dimethyl-4-[7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]aniline.
What is the SMILES notation for N,N-dimethyl-4-[7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]aniline?
The canonical SMILES for N,N-dimethyl-4-[7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]aniline is COc1cc(-c2ccnc3cc(-c4ccc(N(C)C)cc4)nn23)cc(OC)c1OC.
What is the InChIKey of N,N-dimethyl-4-[7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]aniline?
The InChIKey is TWRQKIMHNJPCCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3/c1-26(2)17-8-6-15(7-9-17)18-14-22-24-11-10-19(27(22)25-18)16-12-20(28-3)23(30-5)21(13-16)29-4/h6-14H,1-5H3.
What are the key properties of N,N-dimethyl-4-[7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]aniline?
N,N-dimethyl-4-[7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]aniline has a molecular weight of 404.47 g/mol, XLogP of 4.16, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]aniline is sourced from PubChem (CID 162649600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).