7-N-[3-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-methoxyphenyl]-5-N-[4-fluoro-5-(3-methoxyazetidin-1-yl)-2-pyridinyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine-5,7-diamine

C32H37FN10O3 — CID 134455693

IUPAC7-N-[3-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-methoxyphenyl]-5-N-[4-fluoro-5-(3-methoxyazetidin-1-yl)-2-pyridinyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine-5,7-diamine
SMILESCOc1c(Nc2cc(Nc3cc(F)c(N4CC(OC)C4)cn3)nc3c2nc(C)n3C2CCCCO2)cccc1-c1nc(C)nn1C
InChIInChI=1S/C32H37FN10O3/c1-18-35-31(41(3)40-18)21-9-8-10-23(30(21)45-5)37-24-14-27(38-26-13-22(33)25(15-34-26)42-16-20(17-42)44-4)39-32-29(24)36-19(2)43(32)28-11-6-7-12-46-28/h8-10,13-15,20,28H,6-7,11-12,16-17H2,1-5H3,(H2,34,37,38,39)
InChIKeyBMSNGEBZFPKAJA-UHFFFAOYSA-N
MW628.71 g/mol
LogP5.41
Rot. Bonds9

About 7-N-[3-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-methoxyphenyl]-5-N-[4-fluoro-5-(3-methoxyazetidin-1-yl)-2-pyridinyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine-5,7-diamine

7-N-[3-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-methoxyphenyl]-5-N-[4-fluoro-5-(3-methoxyazetidin-1-yl)-2-pyridinyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine-5,7-diamine (PubChem CID 134455693) has the molecular formula C32H37FN10O3 and a molecular weight of 628.71 g/mol. Its IUPAC name is 7-N-[3-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-methoxyphenyl]-5-N-[4-fluoro-5-(3-methoxyazetidin-1-yl)-2-pyridinyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine-5,7-diamine.

Molecular Properties

Compound Name7-N-[3-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-methoxyphenyl]-5-N-[4-fluoro-5-(3-methoxyazetidin-1-yl)-2-pyridinyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine-5,7-diamine
PubChem CID134455693
Molecular FormulaC32H37FN10O3
Molecular Weight628.71 g/mol
Exact Mass628.30
IUPAC Name7-N-[3-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-methoxyphenyl]-5-N-[4-fluoro-5-(3-methoxyazetidin-1-yl)-2-pyridinyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine-5,7-diamine
SMILESCOc1c(Nc2cc(Nc3cc(F)c(N4CC(OC)C4)cn3)nc3c2nc(C)n3C2CCCCO2)cccc1-c1nc(C)nn1C
InChIInChI=1S/C32H37FN10O3/c1-18-35-31(41(3)40-18)21-9-8-10-23(30(21)45-5)37-24-14-27(38-26-13-22(33)25(15-34-26)42-16-20(17-42)44-4)39-32-29(24)36-19(2)43(32)28-11-6-7-12-46-28/h8-10,13-15,20,28H,6-7,11-12,16-17H2,1-5H3,(H2,34,37,38,39)
InChIKeyBMSNGEBZFPKAJA-UHFFFAOYSA-N
XLogP5.41
TPSA129.30 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds9
Heavy Atoms46
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500628.71
LogP ≤ 55.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Analyze 7-N-[3-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-methoxyphenyl]-5-N-[4-fluoro-5-(3-methoxyazetidin-1-yl)-2-pyridinyl]-2-methyl-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-[3-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-methoxyphenyl]-5-N-[4-fluoro-5-(3-methoxyazetidin-1-yl)-2-pyridinyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine-5,7-diamine?
The IUPAC name of 7-N-[3-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-methoxyphenyl]-5-N-[4-fluoro-5-(3-methoxyazetidin-1-yl)-2-pyridinyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine-5,7-diamine (CID 134455693) is 7-N-[3-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-methoxyphenyl]-5-N-[4-fluoro-5-(3-methoxyazetidin-1-yl)-2-pyridinyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine-5,7-diamine.
What is the SMILES notation for 7-N-[3-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-methoxyphenyl]-5-N-[4-fluoro-5-(3-methoxyazetidin-1-yl)-2-pyridinyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine-5,7-diamine?
The canonical SMILES for 7-N-[3-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-methoxyphenyl]-5-N-[4-fluoro-5-(3-methoxyazetidin-1-yl)-2-pyridinyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine-5,7-diamine is COc1c(Nc2cc(Nc3cc(F)c(N4CC(OC)C4)cn3)nc3c2nc(C)n3C2CCCCO2)cccc1-c1nc(C)nn1C.
What is the InChIKey of 7-N-[3-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-methoxyphenyl]-5-N-[4-fluoro-5-(3-methoxyazetidin-1-yl)-2-pyridinyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine-5,7-diamine?
The InChIKey is BMSNGEBZFPKAJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37FN10O3/c1-18-35-31(41(3)40-18)21-9-8-10-23(30(21)45-5)37-24-14-27(38-26-13-22(33)25(15-34-26)42-16-20(17-42)44-4)39-32-29(24)36-19(2)43(32)28-11-6-7-12-46-28/h8-10,13-15,20,28H,6-7,11-12,16-17H2,1-5H3,(H2,34,37,38,39).
What are the key properties of 7-N-[3-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-methoxyphenyl]-5-N-[4-fluoro-5-(3-methoxyazetidin-1-yl)-2-pyridinyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine-5,7-diamine?
7-N-[3-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-methoxyphenyl]-5-N-[4-fluoro-5-(3-methoxyazetidin-1-yl)-2-pyridinyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine-5,7-diamine has a molecular weight of 628.71 g/mol, XLogP of 5.41, 9 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N-[3-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-methoxyphenyl]-5-N-[4-fluoro-5-(3-methoxyazetidin-1-yl)-2-pyridinyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine-5,7-diamine is sourced from PubChem (CID 134455693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).