5-[6-(2,6-dichloro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidin-2-yl]-1-(2-methoxyethyl)pyrazol-4-amine

C21H20Cl2N6O3 — CID 135181166

IUPAC5-[6-(2,6-dichloro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidin-2-yl]-1-(2-methoxyethyl)pyrazol-4-amine
SMILESCOCCn1ncc(N)c1-c1ncc2cc(-c3c(Cl)c(OC)cc(OC)c3Cl)ncc2n1
InChIInChI=1S/C21H20Cl2N6O3/c1-30-5-4-29-20(12(24)9-27-29)21-26-8-11-6-13(25-10-14(11)28-21)17-18(22)15(31-2)7-16(32-3)19(17)23/h6-10H,4-5,24H2,1-3H3
InChIKeyPYCAWFRASNRNPQ-UHFFFAOYSA-N
MW475.34 g/mol
LogP4.11
Rot. Bonds7

About 5-[6-(2,6-dichloro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidin-2-yl]-1-(2-methoxyethyl)pyrazol-4-amine

5-[6-(2,6-dichloro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidin-2-yl]-1-(2-methoxyethyl)pyrazol-4-amine (PubChem CID 135181166) has the molecular formula C21H20Cl2N6O3 and a molecular weight of 475.34 g/mol. Its IUPAC name is 5-[6-(2,6-dichloro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidin-2-yl]-1-(2-methoxyethyl)pyrazol-4-amine.

Molecular Properties

Compound Name5-[6-(2,6-dichloro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidin-2-yl]-1-(2-methoxyethyl)pyrazol-4-amine
PubChem CID135181166
Molecular FormulaC21H20Cl2N6O3
Molecular Weight475.34 g/mol
Exact Mass474.10
IUPAC Name5-[6-(2,6-dichloro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidin-2-yl]-1-(2-methoxyethyl)pyrazol-4-amine
SMILESCOCCn1ncc(N)c1-c1ncc2cc(-c3c(Cl)c(OC)cc(OC)c3Cl)ncc2n1
InChIInChI=1S/C21H20Cl2N6O3/c1-30-5-4-29-20(12(24)9-27-29)21-26-8-11-6-13(25-10-14(11)28-21)17-18(22)15(31-2)7-16(32-3)19(17)23/h6-10H,4-5,24H2,1-3H3
InChIKeyPYCAWFRASNRNPQ-UHFFFAOYSA-N
XLogP4.11
TPSA110.20 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.34
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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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
8-chloro-N-(2-methoxy-4-(1-methyl-1H-pyrazol-4-yl)phenyl)pyrido[3,4-d]pyrimidin-2-amine
CID 89995981
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-(2,6-dichloro-3,5-dimethoxyphenyl)-N-(4-(4-morpholinopiperidin-1-yl)phe-nyl)-[1,2,4]triazolo[4',3':1,6]pyrido[2,3-d]pyrimidin-2-amine
CID 149705310
2-(4-(4-((6-(2-Chloro-3,5-dime-thoxyphenyl)-[1,2,4]triazolo[4',3':1,6] pyrido[2,3-d]pyrimidin-2-yl)ami-no)phenyl)piperazin-1-yl)ethan-1-ol
CID 150585395
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

Frequently Asked Questions

What is the IUPAC name of 5-[6-(2,6-dichloro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidin-2-yl]-1-(2-methoxyethyl)pyrazol-4-amine?
The IUPAC name of 5-[6-(2,6-dichloro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidin-2-yl]-1-(2-methoxyethyl)pyrazol-4-amine (CID 135181166) is 5-[6-(2,6-dichloro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidin-2-yl]-1-(2-methoxyethyl)pyrazol-4-amine.
What is the SMILES notation for 5-[6-(2,6-dichloro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidin-2-yl]-1-(2-methoxyethyl)pyrazol-4-amine?
The canonical SMILES for 5-[6-(2,6-dichloro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidin-2-yl]-1-(2-methoxyethyl)pyrazol-4-amine is COCCn1ncc(N)c1-c1ncc2cc(-c3c(Cl)c(OC)cc(OC)c3Cl)ncc2n1.
What is the InChIKey of 5-[6-(2,6-dichloro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidin-2-yl]-1-(2-methoxyethyl)pyrazol-4-amine?
The InChIKey is PYCAWFRASNRNPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20Cl2N6O3/c1-30-5-4-29-20(12(24)9-27-29)21-26-8-11-6-13(25-10-14(11)28-21)17-18(22)15(31-2)7-16(32-3)19(17)23/h6-10H,4-5,24H2,1-3H3.
What are the key properties of 5-[6-(2,6-dichloro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidin-2-yl]-1-(2-methoxyethyl)pyrazol-4-amine?
5-[6-(2,6-dichloro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidin-2-yl]-1-(2-methoxyethyl)pyrazol-4-amine has a molecular weight of 475.34 g/mol, XLogP of 4.11, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(2,6-dichloro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidin-2-yl]-1-(2-methoxyethyl)pyrazol-4-amine is sourced from PubChem (CID 135181166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).