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

C28H32N6O3 — CID 59589954

IUPACN-[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
SMILESCOc1cc(Nc2nc3cccc(-c4ccc5c(c4)OCCN5C)n3n2)ccc1OCCN1CCCC1
InChIInChI=1S/C28H32N6O3/c1-32-14-16-37-25-18-20(8-10-23(25)32)22-6-5-7-27-30-28(31-34(22)27)29-21-9-11-24(26(19-21)35-2)36-17-15-33-12-3-4-13-33/h5-11,18-19H,3-4,12-17H2,1-2H3,(H,29,31)
InChIKeyUVKIGWCYXMIPAK-UHFFFAOYSA-N
MW500.60 g/mol
LogP4.45
Rot. Bonds8

About 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

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 (PubChem CID 59589954) has the molecular formula C28H32N6O3 and a molecular weight of 500.60 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID59589954
Molecular FormulaC28H32N6O3
Molecular Weight500.60 g/mol
Exact Mass500.25
IUPAC NameN-[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
SMILESCOc1cc(Nc2nc3cccc(-c4ccc5c(c4)OCCN5C)n3n2)ccc1OCCN1CCCC1
InChIInChI=1S/C28H32N6O3/c1-32-14-16-37-25-18-20(8-10-23(25)32)22-6-5-7-27-30-28(31-34(22)27)29-21-9-11-24(26(19-21)35-2)36-17-15-33-12-3-4-13-33/h5-11,18-19H,3-4,12-17H2,1-2H3,(H,29,31)
InChIKeyUVKIGWCYXMIPAK-UHFFFAOYSA-N
XLogP4.45
TPSA76.39 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.60
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

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Related Compounds

5-(3-aminophenyl)-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 59589844
N-methoxy-N-methyl-3-[2-[4-(2-pyrrolidin-1-ylethoxy)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzamide
CID 59589556
5-[3-[(3-methoxyphenyl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 59589990
5-[3-(oxolan-2-ylmethoxy)phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 59589653
3-[2-[4-(2-pyrrolidin-1-ylethoxy)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzoic acid;1-[3-[2-[4-(2-pyrrolidin-1-ylethoxy)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]ethanone
CID 158772855
5-[3-(cyclopropylmethylamino)phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 59589822
5-(1-propylpyrazol-4-yl)-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 59589769
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(2-pyrrolidin-1-ylethoxy)cyclohexa-1,5-dien-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 90392618
[3-[2-[4-(2-pyrrolidin-1-ylethoxy)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]methylcarbamic acid
CID 143787996
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
1-[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]anilino]-2-pyrrolidin-1-ylpropan-1-ol
CID 126668187
5-[3-[(2-chlorophenyl)methoxy]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 70832632

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1cc(Nc2nc3cccc(-c4ccc5c(c4)OCCN5C)n3n2)ccc1OCCN1CCCC1.
What is the InChIKey of 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?
The InChIKey is UVKIGWCYXMIPAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N6O3/c1-32-14-16-37-25-18-20(8-10-23(25)32)22-6-5-7-27-30-28(31-34(22)27)29-21-9-11-24(26(19-21)35-2)36-17-15-33-12-3-4-13-33/h5-11,18-19H,3-4,12-17H2,1-2H3,(H,29,31).
What are the key properties of 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?
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 has a molecular weight of 500.60 g/mol, XLogP of 4.45, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 59589954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).