2-[3,5-dimethyl-4-[6-[4-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pyrido[3,2-d]pyrimidin-7-yl]oxyhexyl]pyrazol-1-yl]-7-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrido[3,2-d]pyrimidin-4-amine

C46H50N10O — CID 142477729

IUPAC2-[3,5-dimethyl-4-[6-[4-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pyrido[3,2-d]pyrimidin-7-yl]oxyhexyl]pyrazol-1-yl]-7-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrido[3,2-d]pyrimidin-4-amine
SMILESCc1cnc2c(NC3CCCc4ccccc43)nc(-n3nc(C)c(CCCCCCOc4cnc5c(NC6CCCc7ccccc76)ncnc5c4)c3C)nc2c1
InChIInChI=1S/C46H50N10O/c1-29-24-41-43(47-26-29)45(52-39-22-13-17-33-15-8-10-20-37(33)39)54-46(53-41)56-31(3)35(30(2)55-56)18-6-4-5-11-23-57-34-25-40-42(48-27-34)44(50-28-49-40)51-38-21-12-16-32-14-7-9-19-36(32)38/h7-10,14-15,19-20,24-28,38-39H,4-6,11-13,16-18,21-23H2,1-3H3,(H,49,50,51)(H,52,53,54)
InChIKeyFLTAMLGIPOPZHK-UHFFFAOYSA-N
MW758.97 g/mol
LogP9.63
Rot. Bonds13

About 2-[3,5-dimethyl-4-[6-[4-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pyrido[3,2-d]pyrimidin-7-yl]oxyhexyl]pyrazol-1-yl]-7-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrido[3,2-d]pyrimidin-4-amine

2-[3,5-dimethyl-4-[6-[4-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pyrido[3,2-d]pyrimidin-7-yl]oxyhexyl]pyrazol-1-yl]-7-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrido[3,2-d]pyrimidin-4-amine (PubChem CID 142477729) has the molecular formula C46H50N10O and a molecular weight of 758.97 g/mol. Its IUPAC name is 2-[3,5-dimethyl-4-[6-[4-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pyrido[3,2-d]pyrimidin-7-yl]oxyhexyl]pyrazol-1-yl]-7-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrido[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[3,5-dimethyl-4-[6-[4-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pyrido[3,2-d]pyrimidin-7-yl]oxyhexyl]pyrazol-1-yl]-7-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrido[3,2-d]pyrimidin-4-amine
PubChem CID142477729
Molecular FormulaC46H50N10O
Molecular Weight758.97 g/mol
Exact Mass758.42
IUPAC Name2-[3,5-dimethyl-4-[6-[4-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pyrido[3,2-d]pyrimidin-7-yl]oxyhexyl]pyrazol-1-yl]-7-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrido[3,2-d]pyrimidin-4-amine
SMILESCc1cnc2c(NC3CCCc4ccccc43)nc(-n3nc(C)c(CCCCCCOc4cnc5c(NC6CCCc7ccccc76)ncnc5c4)c3C)nc2c1
InChIInChI=1S/C46H50N10O/c1-29-24-41-43(47-26-29)45(52-39-22-13-17-33-15-8-10-20-37(33)39)54-46(53-41)56-31(3)35(30(2)55-56)18-6-4-5-11-23-57-34-25-40-42(48-27-34)44(50-28-49-40)51-38-21-12-16-32-14-7-9-19-36(32)38/h7-10,14-15,19-20,24-28,38-39H,4-6,11-13,16-18,21-23H2,1-3H3,(H,49,50,51)(H,52,53,54)
InChIKeyFLTAMLGIPOPZHK-UHFFFAOYSA-N
XLogP9.63
TPSA128.45 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds13
Heavy Atoms57
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500758.97
LogP ≤ 59.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[3,5-dimethyl-4-[6-[4-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pyrido[3,2-d]pyrimidin-7-yl]oxyhexyl]pyrazol-1-yl]-7-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrido[3,2-d]pyrimidin-4-amine with MolForge

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Related Compounds

7-methoxy-N-[(6-phenyl[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1,5-naphthyridin-4-amine
CID 25064730
8-N-cyclohexyl-2-N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]pyrido[3,4-d]pyrimidine-2,8-diamine
CID 73386878
1-[3-tert-butyl-1-[5-[2-(dimethylamino)ethoxy]-3-pyridinyl]pyrazol-5-yl]-3-[(1S,4R)-4-[[3-[(2S)-2-methylpiperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]oxy]-1,2,3,4-tetrahydronaphthalen-1-yl]urea
CID 86345649
1-[3-tert-butyl-1-[6-[2-(dimethylamino)ethoxy]pyridazin-4-yl]pyrazol-5-yl]-3-[(1S,4R)-4-[[3-[(2S)-2-methylpiperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]oxy]-1,2,3,4-tetrahydronaphthalen-1-yl]urea
CID 86345862
1-[3-Tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[2-fluoro-4-(3-morpholin-4-ylpyrido[2,3-b]pyrazin-8-yl)oxyphenyl]urea
CID 44132532
7-(2,6-dimethylphenyl)-5-methyl-N-(2-(2-(pyrrolidin-1-yl)ethoxy)pyridin-4-yl)benzo[e][1,2,4]triazin-3-amine
CID 44425303
N-((6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl)-7-methoxy-1,5-naphthyridin-4-amine
CID 45102733
N-((6-(3,4-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl)-7-methoxy-1,5-naphthyridin-4-amine
CID 45487862
7-methoxy-N-((6-(3,4,5-trifluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl)-1,5-naphthyridin-4-amine
CID 45487864
N-(4-(3-(2-(Methylamino)pyrimidin-4-yl)pyridin-2-yloxy)phenyl)-4-phenylphthalazin-1-amine
CID 46929751
6-[6-(cyclopropoxy)-3-pyridyl]-4-(1-methylcyclopropoxy)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrido[3,2-d]pyrimidin-2-amine
CID 58275274
8-N-(cyclohexylmethyl)-2-N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]pyrido[3,4-d]pyrimidine-2,8-diamine
CID 73387066

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-dimethyl-4-[6-[4-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pyrido[3,2-d]pyrimidin-7-yl]oxyhexyl]pyrazol-1-yl]-7-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrido[3,2-d]pyrimidin-4-amine?
The IUPAC name of 2-[3,5-dimethyl-4-[6-[4-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pyrido[3,2-d]pyrimidin-7-yl]oxyhexyl]pyrazol-1-yl]-7-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrido[3,2-d]pyrimidin-4-amine (CID 142477729) is 2-[3,5-dimethyl-4-[6-[4-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pyrido[3,2-d]pyrimidin-7-yl]oxyhexyl]pyrazol-1-yl]-7-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrido[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 2-[3,5-dimethyl-4-[6-[4-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pyrido[3,2-d]pyrimidin-7-yl]oxyhexyl]pyrazol-1-yl]-7-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrido[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 2-[3,5-dimethyl-4-[6-[4-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pyrido[3,2-d]pyrimidin-7-yl]oxyhexyl]pyrazol-1-yl]-7-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrido[3,2-d]pyrimidin-4-amine is Cc1cnc2c(NC3CCCc4ccccc43)nc(-n3nc(C)c(CCCCCCOc4cnc5c(NC6CCCc7ccccc76)ncnc5c4)c3C)nc2c1.
What is the InChIKey of 2-[3,5-dimethyl-4-[6-[4-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pyrido[3,2-d]pyrimidin-7-yl]oxyhexyl]pyrazol-1-yl]-7-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrido[3,2-d]pyrimidin-4-amine?
The InChIKey is FLTAMLGIPOPZHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H50N10O/c1-29-24-41-43(47-26-29)45(52-39-22-13-17-33-15-8-10-20-37(33)39)54-46(53-41)56-31(3)35(30(2)55-56)18-6-4-5-11-23-57-34-25-40-42(48-27-34)44(50-28-49-40)51-38-21-12-16-32-14-7-9-19-36(32)38/h7-10,14-15,19-20,24-28,38-39H,4-6,11-13,16-18,21-23H2,1-3H3,(H,49,50,51)(H,52,53,54).
What are the key properties of 2-[3,5-dimethyl-4-[6-[4-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pyrido[3,2-d]pyrimidin-7-yl]oxyhexyl]pyrazol-1-yl]-7-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrido[3,2-d]pyrimidin-4-amine?
2-[3,5-dimethyl-4-[6-[4-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pyrido[3,2-d]pyrimidin-7-yl]oxyhexyl]pyrazol-1-yl]-7-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrido[3,2-d]pyrimidin-4-amine has a molecular weight of 758.97 g/mol, XLogP of 9.63, 13 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-dimethyl-4-[6-[4-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pyrido[3,2-d]pyrimidin-7-yl]oxyhexyl]pyrazol-1-yl]-7-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrido[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 142477729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).