2-(difluoromethyl)-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]-3-(oxan-2-yl)imidazo[4,5-b]pyridine-5,7-diamine

C32H35F3N10O3 — CID 134455873

IUPAC2-(difluoromethyl)-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]-3-(oxan-2-yl)imidazo[4,5-b]pyridine-5,7-diamine
SMILESCOc1c(Nc2cc(Nc3cc(F)c(N4CC(OC)C4)cn3)nc3c2nc(C(F)F)n3C2CCCCO2)cccc1-c1nc(C)nn1C
InChIInChI=1S/C32H35F3N10O3/c1-17-37-30(43(2)42-17)19-8-7-9-21(28(19)47-4)38-22-13-25(39-24-12-20(33)23(14-36-24)44-15-18(16-44)46-3)40-31-27(22)41-32(29(34)35)45(31)26-10-5-6-11-48-26/h7-9,12-14,18,26,29H,5-6,10-11,15-16H2,1-4H3,(H2,36,38,39,40)
InChIKeySSTCKVPCRLTGIO-UHFFFAOYSA-N
MW664.69 g/mol
LogP6.04
Rot. Bonds10

About 2-(difluoromethyl)-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]-3-(oxan-2-yl)imidazo[4,5-b]pyridine-5,7-diamine

2-(difluoromethyl)-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]-3-(oxan-2-yl)imidazo[4,5-b]pyridine-5,7-diamine (PubChem CID 134455873) has the molecular formula C32H35F3N10O3 and a molecular weight of 664.69 g/mol. Its IUPAC name is 2-(difluoromethyl)-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]-3-(oxan-2-yl)imidazo[4,5-b]pyridine-5,7-diamine.

Molecular Properties

Compound Name2-(difluoromethyl)-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]-3-(oxan-2-yl)imidazo[4,5-b]pyridine-5,7-diamine
PubChem CID134455873
Molecular FormulaC32H35F3N10O3
Molecular Weight664.69 g/mol
Exact Mass664.28
IUPAC Name2-(difluoromethyl)-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]-3-(oxan-2-yl)imidazo[4,5-b]pyridine-5,7-diamine
SMILESCOc1c(Nc2cc(Nc3cc(F)c(N4CC(OC)C4)cn3)nc3c2nc(C(F)F)n3C2CCCCO2)cccc1-c1nc(C)nn1C
InChIInChI=1S/C32H35F3N10O3/c1-17-37-30(43(2)42-17)19-8-7-9-21(28(19)47-4)38-22-13-25(39-24-12-20(33)23(14-36-24)44-15-18(16-44)46-3)40-31-27(22)41-32(29(34)35)45(31)26-10-5-6-11-48-26/h7-9,12-14,18,26,29H,5-6,10-11,15-16H2,1-4H3,(H2,36,38,39,40)
InChIKeySSTCKVPCRLTGIO-UHFFFAOYSA-N
XLogP6.04
TPSA129.30 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds10
Heavy Atoms48
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500664.69
LogP ≤ 56.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Analyze 2-(difluoromethyl)-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]-3-(oxan-2-yl)imidazo[4,5-b]pyridine-5,7-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-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]-3-(oxan-2-yl)imidazo[4,5-b]pyridine-5,7-diamine?
The IUPAC name of 2-(difluoromethyl)-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]-3-(oxan-2-yl)imidazo[4,5-b]pyridine-5,7-diamine (CID 134455873) is 2-(difluoromethyl)-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]-3-(oxan-2-yl)imidazo[4,5-b]pyridine-5,7-diamine.
What is the SMILES notation for 2-(difluoromethyl)-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]-3-(oxan-2-yl)imidazo[4,5-b]pyridine-5,7-diamine?
The canonical SMILES for 2-(difluoromethyl)-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]-3-(oxan-2-yl)imidazo[4,5-b]pyridine-5,7-diamine is COc1c(Nc2cc(Nc3cc(F)c(N4CC(OC)C4)cn3)nc3c2nc(C(F)F)n3C2CCCCO2)cccc1-c1nc(C)nn1C.
What is the InChIKey of 2-(difluoromethyl)-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]-3-(oxan-2-yl)imidazo[4,5-b]pyridine-5,7-diamine?
The InChIKey is SSTCKVPCRLTGIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35F3N10O3/c1-17-37-30(43(2)42-17)19-8-7-9-21(28(19)47-4)38-22-13-25(39-24-12-20(33)23(14-36-24)44-15-18(16-44)46-3)40-31-27(22)41-32(29(34)35)45(31)26-10-5-6-11-48-26/h7-9,12-14,18,26,29H,5-6,10-11,15-16H2,1-4H3,(H2,36,38,39,40).
What are the key properties of 2-(difluoromethyl)-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]-3-(oxan-2-yl)imidazo[4,5-b]pyridine-5,7-diamine?
2-(difluoromethyl)-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]-3-(oxan-2-yl)imidazo[4,5-b]pyridine-5,7-diamine has a molecular weight of 664.69 g/mol, XLogP of 6.04, 10 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-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]-3-(oxan-2-yl)imidazo[4,5-b]pyridine-5,7-diamine is sourced from PubChem (CID 134455873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).