6-(6-cyclobutyloxy-3-pyridinyl)-4-(1-methylcyclopropyl)oxy-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrido[3,2-d]pyrimidin-2-amine

C29H28N8O2 — CID 58275297

IUPAC6-(6-cyclobutyloxy-3-pyridinyl)-4-(1-methylcyclopropyl)oxy-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrido[3,2-d]pyrimidin-2-amine
SMILESCC1(Oc2nc(NCc3ccc(-n4cncn4)cc3)nc3ccc(-c4ccc(OC5CCC5)nc4)nc23)CC1
InChIInChI=1S/C29H28N8O2/c1-29(13-14-29)39-27-26-24(11-10-23(34-26)20-7-12-25(31-16-20)38-22-3-2-4-22)35-28(36-27)32-15-19-5-8-21(9-6-19)37-18-30-17-33-37/h5-12,16-18,22H,2-4,13-15H2,1H3,(H,32,35,36)
InChIKeyIGEDILUMKIRUOJ-UHFFFAOYSA-N
MW520.60 g/mol
LogP5.14
Rot. Bonds9

About 6-(6-cyclobutyloxy-3-pyridinyl)-4-(1-methylcyclopropyl)oxy-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrido[3,2-d]pyrimidin-2-amine

6-(6-cyclobutyloxy-3-pyridinyl)-4-(1-methylcyclopropyl)oxy-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrido[3,2-d]pyrimidin-2-amine (PubChem CID 58275297) has the molecular formula C29H28N8O2 and a molecular weight of 520.60 g/mol. Its IUPAC name is 6-(6-cyclobutyloxy-3-pyridinyl)-4-(1-methylcyclopropyl)oxy-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrido[3,2-d]pyrimidin-2-amine.

Molecular Properties

Compound Name6-(6-cyclobutyloxy-3-pyridinyl)-4-(1-methylcyclopropyl)oxy-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrido[3,2-d]pyrimidin-2-amine
PubChem CID58275297
Molecular FormulaC29H28N8O2
Molecular Weight520.60 g/mol
Exact Mass520.23
IUPAC Name6-(6-cyclobutyloxy-3-pyridinyl)-4-(1-methylcyclopropyl)oxy-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrido[3,2-d]pyrimidin-2-amine
SMILESCC1(Oc2nc(NCc3ccc(-n4cncn4)cc3)nc3ccc(-c4ccc(OC5CCC5)nc4)nc23)CC1
InChIInChI=1S/C29H28N8O2/c1-29(13-14-29)39-27-26-24(11-10-23(34-26)20-7-12-25(31-16-20)38-22-3-2-4-22)35-28(36-27)32-15-19-5-8-21(9-6-19)37-18-30-17-33-37/h5-12,16-18,22H,2-4,13-15H2,1H3,(H,32,35,36)
InChIKeyIGEDILUMKIRUOJ-UHFFFAOYSA-N
XLogP5.14
TPSA112.76 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.60
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 6-(6-cyclobutyloxy-3-pyridinyl)-4-(1-methylcyclopropyl)oxy-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrido[3,2-d]pyrimidin-2-amine with MolForge

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Related Compounds

6-(6-cyclobutyloxy-3-pyridinyl)-8-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]-4-N-(2,2,2-trifluoroethyl)pyrido[3,2-d]pyrimidine-2,4-diamine
CID 67162757
6-[6-(cyclopropylamino)-5-fluoro-3-pyridinyl]-2-N-[2-[4-(1,2,4-triazol-1-yl)phenyl]propan-2-yl]-4-N-[1-(trifluoromethyl)cyclopropyl]pyrido[3,2-d]pyrimidine-2,4-diamine
CID 91399273
6-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-4-(oxolan-3-yloxy)pyrido[3,2-d]pyrimidin-2-amine
CID 24960749
N-[[4-(2,3-dihydrofuran-3-yl)phenyl]methyl]-4-(1-methylcyclopropyl)oxy-6-(3-methylsulfonylphenyl)pyrido[3,2-d]pyrimidin-2-amine
CID 70927216
N-(aminomethylidene)-N'-[4-[[[4-cyclopropyloxy-6-(6-cyclopropyloxy-3-pyridinyl)pyrido[3,2-d]pyrimidin-2-yl]amino]methyl]-3-methylcyclohexa-1,5-dien-1-yl]methanimidamide
CID 91502078
5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyridin-2-amine
CID 29029235
6-(6-amino-3-pyridinyl)-4-ethoxy-N-[(4-fluorophenyl)methyl]pyrido[3,2-d]pyrimidin-2-amine
CID 69314270
N-[[6-(4,4-dimethylcyclohexyl)oxy-3-pyridinyl]methyl]propan-2-amine
CID 114342292
4-cyclopentyloxy-N-ethyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80861941
1-(4-cyclohexyloxyphenyl)-1,2,4-triazole
CID 86214626
(2S)-3-cyclohexyl-2-hydroxy-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]propanamide
CID 129433174
6-(2-aminopyrimidin-5-yl)-4-ethoxy-N-[(4-fluorophenyl)methyl]pyrido[3,2-d]pyrimidin-2-amine
CID 69319740

Frequently Asked Questions

What is the IUPAC name of 6-(6-cyclobutyloxy-3-pyridinyl)-4-(1-methylcyclopropyl)oxy-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrido[3,2-d]pyrimidin-2-amine?
The IUPAC name of 6-(6-cyclobutyloxy-3-pyridinyl)-4-(1-methylcyclopropyl)oxy-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrido[3,2-d]pyrimidin-2-amine (CID 58275297) is 6-(6-cyclobutyloxy-3-pyridinyl)-4-(1-methylcyclopropyl)oxy-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrido[3,2-d]pyrimidin-2-amine.
What is the SMILES notation for 6-(6-cyclobutyloxy-3-pyridinyl)-4-(1-methylcyclopropyl)oxy-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrido[3,2-d]pyrimidin-2-amine?
The canonical SMILES for 6-(6-cyclobutyloxy-3-pyridinyl)-4-(1-methylcyclopropyl)oxy-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrido[3,2-d]pyrimidin-2-amine is CC1(Oc2nc(NCc3ccc(-n4cncn4)cc3)nc3ccc(-c4ccc(OC5CCC5)nc4)nc23)CC1.
What is the InChIKey of 6-(6-cyclobutyloxy-3-pyridinyl)-4-(1-methylcyclopropyl)oxy-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrido[3,2-d]pyrimidin-2-amine?
The InChIKey is IGEDILUMKIRUOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N8O2/c1-29(13-14-29)39-27-26-24(11-10-23(34-26)20-7-12-25(31-16-20)38-22-3-2-4-22)35-28(36-27)32-15-19-5-8-21(9-6-19)37-18-30-17-33-37/h5-12,16-18,22H,2-4,13-15H2,1H3,(H,32,35,36).
What are the key properties of 6-(6-cyclobutyloxy-3-pyridinyl)-4-(1-methylcyclopropyl)oxy-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrido[3,2-d]pyrimidin-2-amine?
6-(6-cyclobutyloxy-3-pyridinyl)-4-(1-methylcyclopropyl)oxy-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrido[3,2-d]pyrimidin-2-amine has a molecular weight of 520.60 g/mol, XLogP of 5.14, 9 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-cyclobutyloxy-3-pyridinyl)-4-(1-methylcyclopropyl)oxy-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrido[3,2-d]pyrimidin-2-amine is sourced from PubChem (CID 58275297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).