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

C22H18F2N10O2 — CID 164558512

IUPAC2-[(4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)amino]-6-[(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)oxy]-1-methylimidazo[4,5-b]pyridine-7-carbonitrile
SMILESCOc1n[nH]c2ncc(Oc3cnc4nc(Nc5cc6n(n5)CCCC6(F)F)n(C)c4c3C#N)cc12
InChIInChI=1S/C22H18F2N10O2/c1-33-17-13(8-25)14(36-11-6-12-18(26-9-11)30-31-20(12)35-2)10-27-19(17)29-21(33)28-16-7-15-22(23,24)4-3-5-34(15)32-16/h6-7,9-10H,3-5H2,1-2H3,(H,26,30,31)(H,27,28,29,32)
InChIKeyJERYBRBUFIYOCI-UHFFFAOYSA-N
MW492.45 g/mol
LogP3.74
Rot. Bonds5

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

2-[(4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)amino]-6-[(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)oxy]-1-methylimidazo[4,5-b]pyridine-7-carbonitrile (PubChem CID 164558512) has the molecular formula C22H18F2N10O2 and a molecular weight of 492.45 g/mol. Its IUPAC name is 2-[(4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)amino]-6-[(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)oxy]-1-methylimidazo[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]-6-[(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)oxy]-1-methylimidazo[4,5-b]pyridine-7-carbonitrile
PubChem CID164558512
Molecular FormulaC22H18F2N10O2
Molecular Weight492.45 g/mol
Exact Mass492.16
IUPAC Name2-[(4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)amino]-6-[(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)oxy]-1-methylimidazo[4,5-b]pyridine-7-carbonitrile
SMILESCOc1n[nH]c2ncc(Oc3cnc4nc(Nc5cc6n(n5)CCCC6(F)F)n(C)c4c3C#N)cc12
InChIInChI=1S/C22H18F2N10O2/c1-33-17-13(8-25)14(36-11-6-12-18(26-9-11)30-31-20(12)35-2)10-27-19(17)29-21(33)28-16-7-15-22(23,24)4-3-5-34(15)32-16/h6-7,9-10H,3-5H2,1-2H3,(H,26,30,31)(H,27,28,29,32)
InChIKeyJERYBRBUFIYOCI-UHFFFAOYSA-N
XLogP3.74
TPSA144.38 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.45
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

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

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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]-6-[(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)oxy]-1-methylimidazo[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]-6-[(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)oxy]-1-methylimidazo[4,5-b]pyridine-7-carbonitrile (CID 164558512) is 2-[(4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)amino]-6-[(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)oxy]-1-methylimidazo[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]-6-[(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)oxy]-1-methylimidazo[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]-6-[(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)oxy]-1-methylimidazo[4,5-b]pyridine-7-carbonitrile is COc1n[nH]c2ncc(Oc3cnc4nc(Nc5cc6n(n5)CCCC6(F)F)n(C)c4c3C#N)cc12.
What is the InChIKey of 2-[(4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)amino]-6-[(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)oxy]-1-methylimidazo[4,5-b]pyridine-7-carbonitrile?
The InChIKey is JERYBRBUFIYOCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F2N10O2/c1-33-17-13(8-25)14(36-11-6-12-18(26-9-11)30-31-20(12)35-2)10-27-19(17)29-21(33)28-16-7-15-22(23,24)4-3-5-34(15)32-16/h6-7,9-10H,3-5H2,1-2H3,(H,26,30,31)(H,27,28,29,32).
What are the key properties of 2-[(4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)amino]-6-[(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)oxy]-1-methylimidazo[4,5-b]pyridine-7-carbonitrile?
2-[(4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)amino]-6-[(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)oxy]-1-methylimidazo[4,5-b]pyridine-7-carbonitrile has a molecular weight of 492.45 g/mol, XLogP of 3.74, 5 rotatable bonds, 2 hydrogen bond donors, and 11 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]-6-[(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)oxy]-1-methylimidazo[4,5-b]pyridine-7-carbonitrile is sourced from PubChem (CID 164558512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).