N-[(2,4-dimethoxyphenyl)methyl]-5-(3-methoxy-2,6-dimethylphenoxy)-7-[4-[(1-methylpyrazol-4-yl)amino]piperidin-1-yl]pyrido[4,3-d]pyrimidin-4-amine

C34H40N8O4 — CID 177195415

IUPACN-[(2,4-dimethoxyphenyl)methyl]-5-(3-methoxy-2,6-dimethylphenoxy)-7-[4-[(1-methylpyrazol-4-yl)amino]piperidin-1-yl]pyrido[4,3-d]pyrimidin-4-amine
SMILESCOc1ccc(CNc2ncnc3cc(N4CCC(Nc5cnn(C)c5)CC4)nc(Oc4c(C)ccc(OC)c4C)c23)c(OC)c1
InChIInChI=1S/C34H40N8O4/c1-21-7-10-28(44-5)22(2)32(21)46-34-31-27(36-20-37-33(31)35-17-23-8-9-26(43-4)15-29(23)45-6)16-30(40-34)42-13-11-24(12-14-42)39-25-18-38-41(3)19-25/h7-10,15-16,18-20,24,39H,11-14,17H2,1-6H3,(H,35,36,37)
InChIKeyGESUPAXWXTYPHV-UHFFFAOYSA-N
MW624.75 g/mol
LogP5.89
Rot. Bonds11

About N-[(2,4-dimethoxyphenyl)methyl]-5-(3-methoxy-2,6-dimethylphenoxy)-7-[4-[(1-methylpyrazol-4-yl)amino]piperidin-1-yl]pyrido[4,3-d]pyrimidin-4-amine

N-[(2,4-dimethoxyphenyl)methyl]-5-(3-methoxy-2,6-dimethylphenoxy)-7-[4-[(1-methylpyrazol-4-yl)amino]piperidin-1-yl]pyrido[4,3-d]pyrimidin-4-amine (PubChem CID 177195415) has the molecular formula C34H40N8O4 and a molecular weight of 624.75 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-5-(3-methoxy-2,6-dimethylphenoxy)-7-[4-[(1-methylpyrazol-4-yl)amino]piperidin-1-yl]pyrido[4,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]-5-(3-methoxy-2,6-dimethylphenoxy)-7-[4-[(1-methylpyrazol-4-yl)amino]piperidin-1-yl]pyrido[4,3-d]pyrimidin-4-amine
PubChem CID177195415
Molecular FormulaC34H40N8O4
Molecular Weight624.75 g/mol
Exact Mass624.32
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]-5-(3-methoxy-2,6-dimethylphenoxy)-7-[4-[(1-methylpyrazol-4-yl)amino]piperidin-1-yl]pyrido[4,3-d]pyrimidin-4-amine
SMILESCOc1ccc(CNc2ncnc3cc(N4CCC(Nc5cnn(C)c5)CC4)nc(Oc4c(C)ccc(OC)c4C)c23)c(OC)c1
InChIInChI=1S/C34H40N8O4/c1-21-7-10-28(44-5)22(2)32(21)46-34-31-27(36-20-37-33(31)35-17-23-8-9-26(43-4)15-29(23)45-6)16-30(40-34)42-13-11-24(12-14-42)39-25-18-38-41(3)19-25/h7-10,15-16,18-20,24,39H,11-14,17H2,1-6H3,(H,35,36,37)
InChIKeyGESUPAXWXTYPHV-UHFFFAOYSA-N
XLogP5.89
TPSA120.71 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds11
Heavy Atoms46
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500624.75
LogP ≤ 55.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze N-[(2,4-dimethoxyphenyl)methyl]-5-(3-methoxy-2,6-dimethylphenoxy)-7-[4-[(1-methylpyrazol-4-yl)amino]piperidin-1-yl]pyrido[4,3-d]pyrimidin-4-amine with MolForge

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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
N'-(2,6-difluoro-3,5-dimethoxyphenyl)-N'-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]-N-propan-2-ylethane-1,2-diamine
CID 71558885
N'-(2,6-difluoro-3,5-dimethoxyphenyl)-N-methyl-N'-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]ethane-1,2-diamine
CID 89534049
12-(4-methoxyphenyl)-2-(pyridin-2-yl)-12H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-9-ol
CID 3830622
4-[(2,4-Dimethoxyphenyl)methyl]-2-piperazin-1-ylpyrido[3,2-d]pyrimidine
CID 155556168
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
N'-(2,6-difluoro-3,5-dimethoxyphenyl)-N-methyl-N'-[7-(1-methylpyrazol-4-yl)pteridin-2-yl]ethane-1,2-diamine
CID 72550097
3-[4-[3-Fluoro-5-[(6-methyl-3-pyridinyl)methoxy]phenoxy]phenyl]-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 72694536
1-[4-[3-Fluoro-5-[(6-methyl-3-pyridinyl)methoxy]phenoxy]phenyl]-3-(oxan-4-yl)pyrazolo[4,5-d]pyrimidin-7-amine
CID 72721792
N'-(2-fluoro-3,5-dimethoxyphenyl)-N-methyl-N'-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]ethane-1,2-diamine
CID 89534028
N'-(2,6-difluoro-3,5-dimethoxyphenyl)-N-methyl-N'-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]ethane-1,2-diamine
CID 89534031

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-5-(3-methoxy-2,6-dimethylphenoxy)-7-[4-[(1-methylpyrazol-4-yl)amino]piperidin-1-yl]pyrido[4,3-d]pyrimidin-4-amine?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-5-(3-methoxy-2,6-dimethylphenoxy)-7-[4-[(1-methylpyrazol-4-yl)amino]piperidin-1-yl]pyrido[4,3-d]pyrimidin-4-amine (CID 177195415) is N-[(2,4-dimethoxyphenyl)methyl]-5-(3-methoxy-2,6-dimethylphenoxy)-7-[4-[(1-methylpyrazol-4-yl)amino]piperidin-1-yl]pyrido[4,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-5-(3-methoxy-2,6-dimethylphenoxy)-7-[4-[(1-methylpyrazol-4-yl)amino]piperidin-1-yl]pyrido[4,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-5-(3-methoxy-2,6-dimethylphenoxy)-7-[4-[(1-methylpyrazol-4-yl)amino]piperidin-1-yl]pyrido[4,3-d]pyrimidin-4-amine is COc1ccc(CNc2ncnc3cc(N4CCC(Nc5cnn(C)c5)CC4)nc(Oc4c(C)ccc(OC)c4C)c23)c(OC)c1.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-5-(3-methoxy-2,6-dimethylphenoxy)-7-[4-[(1-methylpyrazol-4-yl)amino]piperidin-1-yl]pyrido[4,3-d]pyrimidin-4-amine?
The InChIKey is GESUPAXWXTYPHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H40N8O4/c1-21-7-10-28(44-5)22(2)32(21)46-34-31-27(36-20-37-33(31)35-17-23-8-9-26(43-4)15-29(23)45-6)16-30(40-34)42-13-11-24(12-14-42)39-25-18-38-41(3)19-25/h7-10,15-16,18-20,24,39H,11-14,17H2,1-6H3,(H,35,36,37).
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-5-(3-methoxy-2,6-dimethylphenoxy)-7-[4-[(1-methylpyrazol-4-yl)amino]piperidin-1-yl]pyrido[4,3-d]pyrimidin-4-amine?
N-[(2,4-dimethoxyphenyl)methyl]-5-(3-methoxy-2,6-dimethylphenoxy)-7-[4-[(1-methylpyrazol-4-yl)amino]piperidin-1-yl]pyrido[4,3-d]pyrimidin-4-amine has a molecular weight of 624.75 g/mol, XLogP of 5.89, 11 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)methyl]-5-(3-methoxy-2,6-dimethylphenoxy)-7-[4-[(1-methylpyrazol-4-yl)amino]piperidin-1-yl]pyrido[4,3-d]pyrimidin-4-amine is sourced from PubChem (CID 177195415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).