6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-N-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]pyrido[3,4-d]pyrimidine-2,8-diamine

C22H23Cl2N7O3 — CID 135181216

IUPAC6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-N-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]pyrido[3,4-d]pyrimidine-2,8-diamine
SMILESCOCCn1cc(CNc2nc(-c3c(Cl)c(OC)cc(OC)c3Cl)cc3cnc(N)nc23)cn1
InChIInChI=1S/C22H23Cl2N7O3/c1-32-5-4-31-11-12(9-28-31)8-26-21-20-13(10-27-22(25)30-20)6-14(29-21)17-18(23)15(33-2)7-16(34-3)19(17)24/h6-7,9-11H,4-5,8H2,1-3H3,(H,26,29)(H2,25,27,30)
InChIKeyUBLREFYICIKHKH-UHFFFAOYSA-N
MW504.38 g/mol
LogP4.05
Rot. Bonds9

About 6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-N-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]pyrido[3,4-d]pyrimidine-2,8-diamine

6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-N-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]pyrido[3,4-d]pyrimidine-2,8-diamine (PubChem CID 135181216) has the molecular formula C22H23Cl2N7O3 and a molecular weight of 504.38 g/mol. Its IUPAC name is 6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-N-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]pyrido[3,4-d]pyrimidine-2,8-diamine.

Molecular Properties

Compound Name6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-N-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]pyrido[3,4-d]pyrimidine-2,8-diamine
PubChem CID135181216
Molecular FormulaC22H23Cl2N7O3
Molecular Weight504.38 g/mol
Exact Mass503.12
IUPAC Name6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-N-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]pyrido[3,4-d]pyrimidine-2,8-diamine
SMILESCOCCn1cc(CNc2nc(-c3c(Cl)c(OC)cc(OC)c3Cl)cc3cnc(N)nc23)cn1
InChIInChI=1S/C22H23Cl2N7O3/c1-32-5-4-31-11-12(9-28-31)8-26-21-20-13(10-27-22(25)30-20)6-14(29-21)17-18(23)15(33-2)7-16(34-3)19(17)24/h6-7,9-11H,4-5,8H2,1-3H3,(H,26,29)(H2,25,27,30)
InChIKeyUBLREFYICIKHKH-UHFFFAOYSA-N
XLogP4.05
TPSA122.23 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.38
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-N-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]pyrido[3,4-d]pyrimidine-2,8-diamine with MolForge

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Related Compounds

N-(2,4-dimethoxyphenyl)-8-(1-methylpyrazol-4-yl)pyrido[3,4-d]pyrimidin-2-amine
CID 119025603
N-[5-[2-(2,6-dichloro-3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-7-(4-ethylpiperazin-1-yl)quinazolin-4-amine
CID 127045946
7-(2,6-dichloro-3,5-dimethoxyphenyl)-N-[4-(4-ethylpiperazin-1-yl)phenyl]-2,4,5,11,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),3,5,7,9,11-hexaen-12-amine
CID 142413824
6-(2-chloro-3,5-dimethoxyphenyl)-N-(4-(morpholinomethyl)phenyl)-[1,2,4]triazolo[4',3':1,6]pyrido[2, 3-d]pyrimidin-2-amine
CID 142413863
6-(2-chloro-3,5-dimethoxyphenyl)-N-(4-(2-(pyrrolidin-1-yl)ethoxy) phenyl)-[1,2,4]triazolo[4',3':1,6] pyrido[2,3-d]pyrimidin-2-amine
CID 148421093
6-(2-chloro-3,5-dimethoxyphenyl)-N-(4-(4-(oxetan-3-yl)piperazin-1-yl)phenyl)-[1,2,4]triazolo[4',3':1, 6]pyrido[2,3-d]pyrimidin-2-amine
CID 151531003
US9745311, Example 49
CID 73057153
2-[(2,6-dichloro-3,5-dimethoxy-N-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]anilino)methyl]-N,N-dimethylimidazole-1-sulfonamide
CID 89534120
N'-(2,6-dichloro-3,5-dimethoxyphenyl)-N-methyl-N'-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]ethane-1,2-diamine
CID 89534132
N-(2,6-dichloro-3,5-dimethoxyphenyl)-N-(1H-imidazol-2-ylmethyl)-7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-amine
CID 89534333
6-(2-chloro-3,5-dimethoxyphenyl)-N-(4-morpholinophenyl)-[1,2,4]triazolo[4',3':1,6]pyrido[2,3-d]pyrimidin-2-amine
CID 142413801
6-(2-chloro-3,5-dimethoxyphenyl)-N-(4-(piperazin-1-ylmethyl)phenyl)-[1,2,4] triazolo[4',3':1,6]pyrido[2,3-d]pyrimidin-2-amine
CID 142413819

Frequently Asked Questions

What is the IUPAC name of 6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-N-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]pyrido[3,4-d]pyrimidine-2,8-diamine?
The IUPAC name of 6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-N-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]pyrido[3,4-d]pyrimidine-2,8-diamine (CID 135181216) is 6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-N-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]pyrido[3,4-d]pyrimidine-2,8-diamine.
What is the SMILES notation for 6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-N-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]pyrido[3,4-d]pyrimidine-2,8-diamine?
The canonical SMILES for 6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-N-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]pyrido[3,4-d]pyrimidine-2,8-diamine is COCCn1cc(CNc2nc(-c3c(Cl)c(OC)cc(OC)c3Cl)cc3cnc(N)nc23)cn1.
What is the InChIKey of 6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-N-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]pyrido[3,4-d]pyrimidine-2,8-diamine?
The InChIKey is UBLREFYICIKHKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23Cl2N7O3/c1-32-5-4-31-11-12(9-28-31)8-26-21-20-13(10-27-22(25)30-20)6-14(29-21)17-18(23)15(33-2)7-16(34-3)19(17)24/h6-7,9-11H,4-5,8H2,1-3H3,(H,26,29)(H2,25,27,30).
What are the key properties of 6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-N-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]pyrido[3,4-d]pyrimidine-2,8-diamine?
6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-N-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]pyrido[3,4-d]pyrimidine-2,8-diamine has a molecular weight of 504.38 g/mol, XLogP of 4.05, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-N-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]pyrido[3,4-d]pyrimidine-2,8-diamine is sourced from PubChem (CID 135181216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).