2-[(4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)amino]-1-methyl-6-pyrazolo[1,5-a]pyridin-3-yloxyimidazo[4,5-b]pyridine-7-carbonitrile

C22H17F2N9O — CID 164559495

IUPAC2-[(4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)amino]-1-methyl-6-pyrazolo[1,5-a]pyridin-3-yloxyimidazo[4,5-b]pyridine-7-carbonitrile
SMILESCn1c(Nc2cc3n(n2)CCCC3(F)F)nc2ncc(Oc3cnn4ccccc34)c(C#N)c21
InChIInChI=1S/C22H17F2N9O/c1-31-19-13(10-25)15(34-16-12-27-32-7-3-2-5-14(16)32)11-26-20(19)29-21(31)28-18-9-17-22(23,24)6-4-8-33(17)30-18/h2-3,5,7,9,11-12H,4,6,8H2,1H3,(H,26,28,29,30)
InChIKeyVSXQADIFPOACSY-UHFFFAOYSA-N
MW461.44 g/mol
LogP4.11
Rot. Bonds4

About 2-[(4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)amino]-1-methyl-6-pyrazolo[1,5-a]pyridin-3-yloxyimidazo[4,5-b]pyridine-7-carbonitrile

2-[(4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)amino]-1-methyl-6-pyrazolo[1,5-a]pyridin-3-yloxyimidazo[4,5-b]pyridine-7-carbonitrile (PubChem CID 164559495) has the molecular formula C22H17F2N9O and a molecular weight of 461.44 g/mol. Its IUPAC name is 2-[(4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)amino]-1-methyl-6-pyrazolo[1,5-a]pyridin-3-yloxyimidazo[4,5-b]pyridine-7-carbonitrile.

Molecular Properties

Compound Name2-[(4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)amino]-1-methyl-6-pyrazolo[1,5-a]pyridin-3-yloxyimidazo[4,5-b]pyridine-7-carbonitrile
PubChem CID164559495
Molecular FormulaC22H17F2N9O
Molecular Weight461.44 g/mol
Exact Mass461.15
IUPAC Name2-[(4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)amino]-1-methyl-6-pyrazolo[1,5-a]pyridin-3-yloxyimidazo[4,5-b]pyridine-7-carbonitrile
SMILESCn1c(Nc2cc3n(n2)CCCC3(F)F)nc2ncc(Oc3cnn4ccccc34)c(C#N)c21
InChIInChI=1S/C22H17F2N9O/c1-31-19-13(10-25)15(34-16-12-27-32-7-3-2-5-14(16)32)11-26-20(19)29-21(31)28-18-9-17-22(23,24)6-4-8-33(17)30-18/h2-3,5,7,9,11-12H,4,6,8H2,1H3,(H,26,28,29,30)
InChIKeyVSXQADIFPOACSY-UHFFFAOYSA-N
XLogP4.11
TPSA110.88 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.44
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 2-[(4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)amino]-1-methyl-6-pyrazolo[1,5-a]pyridin-3-yloxyimidazo[4,5-b]pyridine-7-carbonitrile with MolForge

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Related Compounds

7-(2-fluorophenyl)-2-((2-methyl-2H-1,2,4-triazol-3-yl)methoxy)-3-(pyridin-3-yl)pyrazolo[1,5-d][1,2,4]triazine
CID 18406917
5-[[4-(Methylamino)-5-(1-methylpyrazol-4-yl)pyrimidin-2-yl]amino]-3-piperidin-3-yloxypyridine-2-carbonitrile
CID 134508144
Chk1-IN-3
CID 138454800
Tyk2-IN-14
CID 138560421
5-[[4-(Methylamino)-5-(1-methylpyrazol-4-yl)pyrimidin-2-yl]amino]-3-piperidin-4-yloxypyridine-2-carbonitrile
CID 155517225
5-methyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-7-[3-(trifluoromethyl)phenyl]imidazo[5,1-f][1,2,4]triazin-2-amine
CID 11237028
7-(2-Fluorophenyl)-2-(2-methyl-2H-[1,2,4]triazol-3-ylmethoxy)-3-(pyridin-2-yl)pyrazolo[1,5-d][1,2,4]triazine
CID 18406914
N-((6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl)-7-methoxy-1,5-naphthyridin-4-amine
CID 45102733
N-((6-(3,4-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl)-7-methoxy-1,5-naphthyridin-4-amine
CID 45487862
7-methoxy-N-((6-(3,4,5-trifluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl)-1,5-naphthyridin-4-amine
CID 45487864
N-[[5-(6-methylpyridin-2-yl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-2-(trifluoromethoxy)aniline
CID 54767085
6-(1,5-dimethyl-4-phenoxypyrazol-3-yl)-N,3-dimethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 76071650

Frequently Asked Questions

What is the IUPAC name of 2-[(4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)amino]-1-methyl-6-pyrazolo[1,5-a]pyridin-3-yloxyimidazo[4,5-b]pyridine-7-carbonitrile?
The IUPAC name of 2-[(4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)amino]-1-methyl-6-pyrazolo[1,5-a]pyridin-3-yloxyimidazo[4,5-b]pyridine-7-carbonitrile (CID 164559495) is 2-[(4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)amino]-1-methyl-6-pyrazolo[1,5-a]pyridin-3-yloxyimidazo[4,5-b]pyridine-7-carbonitrile.
What is the SMILES notation for 2-[(4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)amino]-1-methyl-6-pyrazolo[1,5-a]pyridin-3-yloxyimidazo[4,5-b]pyridine-7-carbonitrile?
The canonical SMILES for 2-[(4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)amino]-1-methyl-6-pyrazolo[1,5-a]pyridin-3-yloxyimidazo[4,5-b]pyridine-7-carbonitrile is Cn1c(Nc2cc3n(n2)CCCC3(F)F)nc2ncc(Oc3cnn4ccccc34)c(C#N)c21.
What is the InChIKey of 2-[(4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)amino]-1-methyl-6-pyrazolo[1,5-a]pyridin-3-yloxyimidazo[4,5-b]pyridine-7-carbonitrile?
The InChIKey is VSXQADIFPOACSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F2N9O/c1-31-19-13(10-25)15(34-16-12-27-32-7-3-2-5-14(16)32)11-26-20(19)29-21(31)28-18-9-17-22(23,24)6-4-8-33(17)30-18/h2-3,5,7,9,11-12H,4,6,8H2,1H3,(H,26,28,29,30).
What are the key properties of 2-[(4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)amino]-1-methyl-6-pyrazolo[1,5-a]pyridin-3-yloxyimidazo[4,5-b]pyridine-7-carbonitrile?
2-[(4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)amino]-1-methyl-6-pyrazolo[1,5-a]pyridin-3-yloxyimidazo[4,5-b]pyridine-7-carbonitrile has a molecular weight of 461.44 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)amino]-1-methyl-6-pyrazolo[1,5-a]pyridin-3-yloxyimidazo[4,5-b]pyridine-7-carbonitrile is sourced from PubChem (CID 164559495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).