N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-6-methyl-8-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C27H27N7O2 — CID 53339786

IUPACN-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-6-methyl-8-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCOc1cc(Nc2nc3c(-c4ccc5c(c4)OCCN5C)cc(C)cn3n2)ccc1-n1cnc(C)c1
InChIInChI=1S/C27H27N7O2/c1-17-11-21(19-5-7-22-25(12-19)36-10-9-32(22)3)26-30-27(31-34(26)14-17)29-20-6-8-23(24(13-20)35-4)33-15-18(2)28-16-33/h5-8,11-16H,9-10H2,1-4H3,(H,29,31)
InChIKeyDMHLGMZVXYREEH-UHFFFAOYSA-N
MW481.56 g/mol
LogP4.78
Rot. Bonds5

About N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-6-methyl-8-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine

N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-6-methyl-8-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 53339786) has the molecular formula C27H27N7O2 and a molecular weight of 481.56 g/mol. Its IUPAC name is N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-6-methyl-8-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound NameN-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-6-methyl-8-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID53339786
Molecular FormulaC27H27N7O2
Molecular Weight481.56 g/mol
Exact Mass481.22
IUPAC NameN-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-6-methyl-8-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCOc1cc(Nc2nc3c(-c4ccc5c(c4)OCCN5C)cc(C)cn3n2)ccc1-n1cnc(C)c1
InChIInChI=1S/C27H27N7O2/c1-17-11-21(19-5-7-22-25(12-19)36-10-9-32(22)3)26-30-27(31-34(26)14-17)29-20-6-8-23(24(13-20)35-4)33-15-18(2)28-16-33/h5-8,11-16H,9-10H2,1-4H3,(H,29,31)
InChIKeyDMHLGMZVXYREEH-UHFFFAOYSA-N
XLogP4.78
TPSA81.74 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.56
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-6-methyl-8-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine with MolForge

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Related Compounds

2-[4-[2-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]-6-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl]phenyl]acetonitrile
CID 53339675
8-(3,4-difluorophenyl)-6-fluoro-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 53339677
8-(4-fluoro-2-methylphenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 53339454
benzene;N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine;molecular hydrogen
CID 144890338
6-cyclopropyl-8-(3,4-difluorophenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 53340703
8-(4-fluoropiperidin-1-yl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 53340581
4,6-dichloro-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1,3,5-triazin-2-amine
CID 87317448
N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-8-[4-methyl-2-(trifluoromethoxy)phenyl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
CID 144841197
3-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1H-1,2,4-triazole-3,5-diamine
CID 67334334
14-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]-2,10-dimethyl-4,7-dioxa-2,10,13,15-tetrazabicyclo[9.4.0]pentadeca-1(15),11,13-trien-9-one
CID 123926016
N-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 59589954
8-(2-cyclopropyl-4-fluorophenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
CID 118051900

Frequently Asked Questions

What is the IUPAC name of N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-6-methyl-8-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-6-methyl-8-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 53339786) is N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-6-methyl-8-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-6-methyl-8-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-6-methyl-8-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine is COc1cc(Nc2nc3c(-c4ccc5c(c4)OCCN5C)cc(C)cn3n2)ccc1-n1cnc(C)c1.
What is the InChIKey of N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-6-methyl-8-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is DMHLGMZVXYREEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N7O2/c1-17-11-21(19-5-7-22-25(12-19)36-10-9-32(22)3)26-30-27(31-34(26)14-17)29-20-6-8-23(24(13-20)35-4)33-15-18(2)28-16-33/h5-8,11-16H,9-10H2,1-4H3,(H,29,31).
What are the key properties of N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-6-methyl-8-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-6-methyl-8-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 481.56 g/mol, XLogP of 4.78, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-6-methyl-8-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 53339786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).