4,5-difluoro-N-[6-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]-3-pyridinyl]-1H-benzimidazol-2-amine

C22H16F2N8O — CID 24983498

IUPAC4,5-difluoro-N-[6-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]-3-pyridinyl]-1H-benzimidazol-2-amine
SMILESCNc1nccc(-c2cccnc2Oc2ccc(Nc3nc4c(F)c(F)ccc4[nH]3)cn2)n1
InChIInChI=1S/C22H16F2N8O/c1-25-21-27-10-8-15(30-21)13-3-2-9-26-20(13)33-17-7-4-12(11-28-17)29-22-31-16-6-5-14(23)18(24)19(16)32-22/h2-11H,1H3,(H,25,27,30)(H2,29,31,32)
InChIKeyHPKVRPZBHWYKQU-UHFFFAOYSA-N
MW446.42 g/mol
LogP4.67
Rot. Bonds6

About 4,5-difluoro-N-[6-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]-3-pyridinyl]-1H-benzimidazol-2-amine

4,5-difluoro-N-[6-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]-3-pyridinyl]-1H-benzimidazol-2-amine (PubChem CID 24983498) has the molecular formula C22H16F2N8O and a molecular weight of 446.42 g/mol. Its IUPAC name is 4,5-difluoro-N-[6-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]-3-pyridinyl]-1H-benzimidazol-2-amine.

Molecular Properties

Compound Name4,5-difluoro-N-[6-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]-3-pyridinyl]-1H-benzimidazol-2-amine
PubChem CID24983498
Molecular FormulaC22H16F2N8O
Molecular Weight446.42 g/mol
Exact Mass446.14
IUPAC Name4,5-difluoro-N-[6-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]-3-pyridinyl]-1H-benzimidazol-2-amine
SMILESCNc1nccc(-c2cccnc2Oc2ccc(Nc3nc4c(F)c(F)ccc4[nH]3)cn2)n1
InChIInChI=1S/C22H16F2N8O/c1-25-21-27-10-8-15(30-21)13-3-2-9-26-20(13)33-17-7-4-12(11-28-17)29-22-31-16-6-5-14(23)18(24)19(16)32-22/h2-11H,1H3,(H,25,27,30)(H2,29,31,32)
InChIKeyHPKVRPZBHWYKQU-UHFFFAOYSA-N
XLogP4.67
TPSA113.53 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.42
LogP ≤ 54.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 4,5-difluoro-N-[6-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]-3-pyridinyl]-1H-benzimidazol-2-amine with MolForge

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Launch Full Analysis

Related Compounds

N-[3-chloro-4-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]-4,5-difluoro-1H-benzimidazol-2-amine
CID 24983519
N-[6-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]-3-pyridinyl]-4-piperidin-1-ylphthalazin-1-amine
CID 66731626
N-methyl-4-[2-[4-[(5-methyl-4-phenyl-1H-imidazol-2-yl)amino]phenoxy]-3-pyridinyl]pyrimidin-2-amine
CID 58966971
N-[4-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-4,6-bis(trifluoromethyl)-1H-benzimidazol-2-amine
CID 24983278
N-[3-methyl-4-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-1H-benzimidazol-2-amine
CID 16733534
1-(3-fluoro-4-methoxyphenyl)-3-[3-methyl-4-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]urea
CID 58587973
N-[6-[[3-(2-aminopyrimidin-4-yl)-2-pyridinyl]oxy]-3-pyridinyl]-4-(2-fluoro-5-methoxyphenyl)phthalazin-1-amine
CID 66731500
1-(4-bromo-3-fluorophenyl)-3-[3-methyl-4-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]urea
CID 58588049
4-cyclopropyl-N-[4-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]isoquinolin-1-amine
CID 66731434
2-fluoro-5-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]-N-(4-propan-2-ylphenyl)benzamide
CID 58588382
2-fluoro-3-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]-N-(4-propylphenyl)benzamide
CID 90254926
3-[[4-[2-[[5-[(4-phenylphthalazin-1-yl)amino]-2-pyridinyl]oxy]-3-pyridinyl]pyrimidin-2-yl]amino]propan-1-ol
CID 66731419

Frequently Asked Questions

What is the IUPAC name of 4,5-difluoro-N-[6-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]-3-pyridinyl]-1H-benzimidazol-2-amine?
The IUPAC name of 4,5-difluoro-N-[6-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]-3-pyridinyl]-1H-benzimidazol-2-amine (CID 24983498) is 4,5-difluoro-N-[6-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]-3-pyridinyl]-1H-benzimidazol-2-amine.
What is the SMILES notation for 4,5-difluoro-N-[6-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]-3-pyridinyl]-1H-benzimidazol-2-amine?
The canonical SMILES for 4,5-difluoro-N-[6-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]-3-pyridinyl]-1H-benzimidazol-2-amine is CNc1nccc(-c2cccnc2Oc2ccc(Nc3nc4c(F)c(F)ccc4[nH]3)cn2)n1.
What is the InChIKey of 4,5-difluoro-N-[6-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]-3-pyridinyl]-1H-benzimidazol-2-amine?
The InChIKey is HPKVRPZBHWYKQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F2N8O/c1-25-21-27-10-8-15(30-21)13-3-2-9-26-20(13)33-17-7-4-12(11-28-17)29-22-31-16-6-5-14(23)18(24)19(16)32-22/h2-11H,1H3,(H,25,27,30)(H2,29,31,32).
What are the key properties of 4,5-difluoro-N-[6-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]-3-pyridinyl]-1H-benzimidazol-2-amine?
4,5-difluoro-N-[6-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]-3-pyridinyl]-1H-benzimidazol-2-amine has a molecular weight of 446.42 g/mol, XLogP of 4.67, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-difluoro-N-[6-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]-3-pyridinyl]-1H-benzimidazol-2-amine is sourced from PubChem (CID 24983498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).