7-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-N-[(2,4-dimethoxyphenyl)methyl]-5-(3-methoxy-2,6-dimethylphenoxy)pyrido[4,3-d]pyrimidin-4-amine

C31H33N7O4 — CID 177195382

IUPAC7-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-N-[(2,4-dimethoxyphenyl)methyl]-5-(3-methoxy-2,6-dimethylphenoxy)pyrido[4,3-d]pyrimidin-4-amine
SMILESCOc1ccc(CNc2ncnc3cc(N4CCn5nccc5C4)nc(Oc4c(C)ccc(OC)c4C)c23)c(OC)c1
InChIInChI=1S/C31H33N7O4/c1-19-6-9-25(40-4)20(2)29(19)42-31-28-24(15-27(36-31)37-12-13-38-22(17-37)10-11-35-38)33-18-34-30(28)32-16-21-7-8-23(39-3)14-26(21)41-5/h6-11,14-15,18H,12-13,16-17H2,1-5H3,(H,32,33,34)
InChIKeyUOCSSJSXTQGTBT-UHFFFAOYSA-N
MW567.65 g/mol
LogP5.29
Rot. Bonds9

About 7-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-N-[(2,4-dimethoxyphenyl)methyl]-5-(3-methoxy-2,6-dimethylphenoxy)pyrido[4,3-d]pyrimidin-4-amine

7-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-N-[(2,4-dimethoxyphenyl)methyl]-5-(3-methoxy-2,6-dimethylphenoxy)pyrido[4,3-d]pyrimidin-4-amine (PubChem CID 177195382) has the molecular formula C31H33N7O4 and a molecular weight of 567.65 g/mol. Its IUPAC name is 7-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-N-[(2,4-dimethoxyphenyl)methyl]-5-(3-methoxy-2,6-dimethylphenoxy)pyrido[4,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-N-[(2,4-dimethoxyphenyl)methyl]-5-(3-methoxy-2,6-dimethylphenoxy)pyrido[4,3-d]pyrimidin-4-amine
PubChem CID177195382
Molecular FormulaC31H33N7O4
Molecular Weight567.65 g/mol
Exact Mass567.26
IUPAC Name7-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-N-[(2,4-dimethoxyphenyl)methyl]-5-(3-methoxy-2,6-dimethylphenoxy)pyrido[4,3-d]pyrimidin-4-amine
SMILESCOc1ccc(CNc2ncnc3cc(N4CCn5nccc5C4)nc(Oc4c(C)ccc(OC)c4C)c23)c(OC)c1
InChIInChI=1S/C31H33N7O4/c1-19-6-9-25(40-4)20(2)29(19)42-31-28-24(15-27(36-31)37-12-13-38-22(17-37)10-11-35-38)33-18-34-30(28)32-16-21-7-8-23(39-3)14-26(21)41-5/h6-11,14-15,18H,12-13,16-17H2,1-5H3,(H,32,33,34)
InChIKeyUOCSSJSXTQGTBT-UHFFFAOYSA-N
XLogP5.29
TPSA108.68 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500567.65
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze 7-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-N-[(2,4-dimethoxyphenyl)methyl]-5-(3-methoxy-2,6-dimethylphenoxy)pyrido[4,3-d]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(4S)-3,3-difluoro-1-methylpiperidin-4-yl]oxy-7-methoxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine
CID 146241657
2-(3,5-Dimethoxy-phenyl)-9-(4-pyrimidin-2-yl-piperazin-1-yl)-5,6,7,8-tetrahydro-pyrazolo[5,1-b]quinazoline
CID 656020
N-[(2,4-dimethoxyphenyl)methyl]-6-pyridin-3-ylquinazolin-4-amine
CID 3232747
N-[(2,4-dimethoxyphenyl)methyl]-2-pyridin-3-ylquinazolin-4-amine
CID 3235011
12-(4-methoxyphenyl)-2-(pyridin-2-yl)-12H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-9-ol
CID 3830622
12-(3,4-dimethoxyphenyl)-2-(pyridin-2-yl)-12H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-9-ol
CID 4535066
N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-7-(2,4,6-trimethylphenoxy)-[1,2,4]triazolo[1,5-a]pyrimidin-5-amine
CID 118732244
6-(2-Fluoro-6-methoxyphenyl)-1-(6-piperazin-1-yl-2-pyridinyl)pyrazolo[4,3-c]pyridine
CID 162644299
6-(2-Fluoro-6-methoxyphenyl)-1-[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]pyrazolo[4,3-c]pyridine
CID 162668670
7-Methoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]-1,6-naphthyridine
CID 25065971
US10266548, Example 2-53-1
CID 71554229
N-(2,6-difluoro-3,5-dimethoxyphenyl)-7-(1-methylpyrazol-4-yl)-N-(pyrimidin-2-ylmethyl)-1,5-naphthyridin-2-amine
CID 71558884

Frequently Asked Questions

What is the IUPAC name of 7-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-N-[(2,4-dimethoxyphenyl)methyl]-5-(3-methoxy-2,6-dimethylphenoxy)pyrido[4,3-d]pyrimidin-4-amine?
The IUPAC name of 7-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-N-[(2,4-dimethoxyphenyl)methyl]-5-(3-methoxy-2,6-dimethylphenoxy)pyrido[4,3-d]pyrimidin-4-amine (CID 177195382) is 7-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-N-[(2,4-dimethoxyphenyl)methyl]-5-(3-methoxy-2,6-dimethylphenoxy)pyrido[4,3-d]pyrimidin-4-amine.
What is the SMILES notation for 7-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-N-[(2,4-dimethoxyphenyl)methyl]-5-(3-methoxy-2,6-dimethylphenoxy)pyrido[4,3-d]pyrimidin-4-amine?
The canonical SMILES for 7-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-N-[(2,4-dimethoxyphenyl)methyl]-5-(3-methoxy-2,6-dimethylphenoxy)pyrido[4,3-d]pyrimidin-4-amine is COc1ccc(CNc2ncnc3cc(N4CCn5nccc5C4)nc(Oc4c(C)ccc(OC)c4C)c23)c(OC)c1.
What is the InChIKey of 7-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-N-[(2,4-dimethoxyphenyl)methyl]-5-(3-methoxy-2,6-dimethylphenoxy)pyrido[4,3-d]pyrimidin-4-amine?
The InChIKey is UOCSSJSXTQGTBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33N7O4/c1-19-6-9-25(40-4)20(2)29(19)42-31-28-24(15-27(36-31)37-12-13-38-22(17-37)10-11-35-38)33-18-34-30(28)32-16-21-7-8-23(39-3)14-26(21)41-5/h6-11,14-15,18H,12-13,16-17H2,1-5H3,(H,32,33,34).
What are the key properties of 7-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-N-[(2,4-dimethoxyphenyl)methyl]-5-(3-methoxy-2,6-dimethylphenoxy)pyrido[4,3-d]pyrimidin-4-amine?
7-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-N-[(2,4-dimethoxyphenyl)methyl]-5-(3-methoxy-2,6-dimethylphenoxy)pyrido[4,3-d]pyrimidin-4-amine has a molecular weight of 567.65 g/mol, XLogP of 5.29, 9 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-N-[(2,4-dimethoxyphenyl)methyl]-5-(3-methoxy-2,6-dimethylphenoxy)pyrido[4,3-d]pyrimidin-4-amine is sourced from PubChem (CID 177195382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).