7-N-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-5-N-(5-morpholin-4-yl-2-pyridinyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine-5,7-diamine

C30H34N10O3 — CID 134456378

IUPAC7-N-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-5-N-(5-morpholin-4-yl-2-pyridinyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine-5,7-diamine
SMILESCOc1c(Nc2cc(Nc3ccc(N4CCOCC4)cn3)nc3c2ncn3C2CCCCO2)cccc1-c1ncn(C)n1
InChIInChI=1S/C30H34N10O3/c1-38-18-33-29(37-38)21-6-5-7-22(28(21)41-2)34-23-16-25(35-24-10-9-20(17-31-24)39-11-14-42-15-12-39)36-30-27(23)32-19-40(30)26-8-3-4-13-43-26/h5-7,9-10,16-19,26H,3-4,8,11-15H2,1-2H3,(H2,31,34,35,36)
InChIKeyOMYJKOFZSLQFQZ-UHFFFAOYSA-N
MW582.67 g/mol
LogP4.65
Rot. Bonds8

About 7-N-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-5-N-(5-morpholin-4-yl-2-pyridinyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine-5,7-diamine

7-N-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-5-N-(5-morpholin-4-yl-2-pyridinyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine-5,7-diamine (PubChem CID 134456378) has the molecular formula C30H34N10O3 and a molecular weight of 582.67 g/mol. Its IUPAC name is 7-N-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-5-N-(5-morpholin-4-yl-2-pyridinyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine-5,7-diamine.

Molecular Properties

Compound Name7-N-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-5-N-(5-morpholin-4-yl-2-pyridinyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine-5,7-diamine
PubChem CID134456378
Molecular FormulaC30H34N10O3
Molecular Weight582.67 g/mol
Exact Mass582.28
IUPAC Name7-N-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-5-N-(5-morpholin-4-yl-2-pyridinyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine-5,7-diamine
SMILESCOc1c(Nc2cc(Nc3ccc(N4CCOCC4)cn3)nc3c2ncn3C2CCCCO2)cccc1-c1ncn(C)n1
InChIInChI=1S/C30H34N10O3/c1-38-18-33-29(37-38)21-6-5-7-22(28(21)41-2)34-23-16-25(35-24-10-9-20(17-31-24)39-11-14-42-15-12-39)36-30-27(23)32-19-40(30)26-8-3-4-13-43-26/h5-7,9-10,16-19,26H,3-4,8,11-15H2,1-2H3,(H2,31,34,35,36)
InChIKeyOMYJKOFZSLQFQZ-UHFFFAOYSA-N
XLogP4.65
TPSA129.30 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.67
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Analyze 7-N-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-5-N-(5-morpholin-4-yl-2-pyridinyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine-5,7-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-N-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-5-N-(5-morpholin-4-yl-2-pyridinyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine-5,7-diamine?
The IUPAC name of 7-N-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-5-N-(5-morpholin-4-yl-2-pyridinyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine-5,7-diamine (CID 134456378) is 7-N-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-5-N-(5-morpholin-4-yl-2-pyridinyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine-5,7-diamine.
What is the SMILES notation for 7-N-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-5-N-(5-morpholin-4-yl-2-pyridinyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine-5,7-diamine?
The canonical SMILES for 7-N-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-5-N-(5-morpholin-4-yl-2-pyridinyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine-5,7-diamine is COc1c(Nc2cc(Nc3ccc(N4CCOCC4)cn3)nc3c2ncn3C2CCCCO2)cccc1-c1ncn(C)n1.
What is the InChIKey of 7-N-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-5-N-(5-morpholin-4-yl-2-pyridinyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine-5,7-diamine?
The InChIKey is OMYJKOFZSLQFQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N10O3/c1-38-18-33-29(37-38)21-6-5-7-22(28(21)41-2)34-23-16-25(35-24-10-9-20(17-31-24)39-11-14-42-15-12-39)36-30-27(23)32-19-40(30)26-8-3-4-13-43-26/h5-7,9-10,16-19,26H,3-4,8,11-15H2,1-2H3,(H2,31,34,35,36).
What are the key properties of 7-N-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-5-N-(5-morpholin-4-yl-2-pyridinyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine-5,7-diamine?
7-N-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-5-N-(5-morpholin-4-yl-2-pyridinyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine-5,7-diamine has a molecular weight of 582.67 g/mol, XLogP of 4.65, 8 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-5-N-(5-morpholin-4-yl-2-pyridinyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine-5,7-diamine is sourced from PubChem (CID 134456378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).