7-chloro-N-(4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)-6-(6-methoxypyrazolo[1,5-a]pyridin-3-yl)oxy-1-methylimidazo[4,5-b]pyridin-2-amine

C22H19ClF2N8O2 — CID 164558811

IUPAC7-chloro-N-(4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)-6-(6-methoxypyrazolo[1,5-a]pyridin-3-yl)oxy-1-methylimidazo[4,5-b]pyridin-2-amine
SMILESCOc1ccc2c(Oc3cnc4nc(Nc5cc6n(n5)CCCC6(F)F)n(C)c4c3Cl)cnn2c1
InChIInChI=1S/C22H19ClF2N8O2/c1-31-19-18(23)15(35-14-10-27-33-11-12(34-2)4-5-13(14)33)9-26-20(19)29-21(31)28-17-8-16-22(24,25)6-3-7-32(16)30-17/h4-5,8-11H,3,6-7H2,1-2H3,(H,26,28,29,30)
InChIKeyHVVXCROEXJKQHU-UHFFFAOYSA-N
MW500.90 g/mol
LogP4.90
Rot. Bonds5

About 7-chloro-N-(4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)-6-(6-methoxypyrazolo[1,5-a]pyridin-3-yl)oxy-1-methylimidazo[4,5-b]pyridin-2-amine

7-chloro-N-(4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)-6-(6-methoxypyrazolo[1,5-a]pyridin-3-yl)oxy-1-methylimidazo[4,5-b]pyridin-2-amine (PubChem CID 164558811) has the molecular formula C22H19ClF2N8O2 and a molecular weight of 500.90 g/mol. Its IUPAC name is 7-chloro-N-(4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)-6-(6-methoxypyrazolo[1,5-a]pyridin-3-yl)oxy-1-methylimidazo[4,5-b]pyridin-2-amine.

Molecular Properties

Compound Name7-chloro-N-(4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)-6-(6-methoxypyrazolo[1,5-a]pyridin-3-yl)oxy-1-methylimidazo[4,5-b]pyridin-2-amine
PubChem CID164558811
Molecular FormulaC22H19ClF2N8O2
Molecular Weight500.90 g/mol
Exact Mass500.13
IUPAC Name7-chloro-N-(4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)-6-(6-methoxypyrazolo[1,5-a]pyridin-3-yl)oxy-1-methylimidazo[4,5-b]pyridin-2-amine
SMILESCOc1ccc2c(Oc3cnc4nc(Nc5cc6n(n5)CCCC6(F)F)n(C)c4c3Cl)cnn2c1
InChIInChI=1S/C22H19ClF2N8O2/c1-31-19-18(23)15(35-14-10-27-33-11-12(34-2)4-5-13(14)33)9-26-20(19)29-21(31)28-17-8-16-22(24,25)6-3-7-32(16)30-17/h4-5,8-11H,3,6-7H2,1-2H3,(H,26,28,29,30)
InChIKeyHVVXCROEXJKQHU-UHFFFAOYSA-N
XLogP4.90
TPSA96.32 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.90
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 7-chloro-N-(4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)-6-(6-methoxypyrazolo[1,5-a]pyridin-3-yl)oxy-1-methylimidazo[4,5-b]pyridin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-(4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)-6-(6-methoxypyrazolo[1,5-a]pyridin-3-yl)oxy-1-methylimidazo[4,5-b]pyridin-2-amine?
The IUPAC name of 7-chloro-N-(4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)-6-(6-methoxypyrazolo[1,5-a]pyridin-3-yl)oxy-1-methylimidazo[4,5-b]pyridin-2-amine (CID 164558811) is 7-chloro-N-(4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)-6-(6-methoxypyrazolo[1,5-a]pyridin-3-yl)oxy-1-methylimidazo[4,5-b]pyridin-2-amine.
What is the SMILES notation for 7-chloro-N-(4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)-6-(6-methoxypyrazolo[1,5-a]pyridin-3-yl)oxy-1-methylimidazo[4,5-b]pyridin-2-amine?
The canonical SMILES for 7-chloro-N-(4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)-6-(6-methoxypyrazolo[1,5-a]pyridin-3-yl)oxy-1-methylimidazo[4,5-b]pyridin-2-amine is COc1ccc2c(Oc3cnc4nc(Nc5cc6n(n5)CCCC6(F)F)n(C)c4c3Cl)cnn2c1.
What is the InChIKey of 7-chloro-N-(4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)-6-(6-methoxypyrazolo[1,5-a]pyridin-3-yl)oxy-1-methylimidazo[4,5-b]pyridin-2-amine?
The InChIKey is HVVXCROEXJKQHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClF2N8O2/c1-31-19-18(23)15(35-14-10-27-33-11-12(34-2)4-5-13(14)33)9-26-20(19)29-21(31)28-17-8-16-22(24,25)6-3-7-32(16)30-17/h4-5,8-11H,3,6-7H2,1-2H3,(H,26,28,29,30).
What are the key properties of 7-chloro-N-(4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)-6-(6-methoxypyrazolo[1,5-a]pyridin-3-yl)oxy-1-methylimidazo[4,5-b]pyridin-2-amine?
7-chloro-N-(4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)-6-(6-methoxypyrazolo[1,5-a]pyridin-3-yl)oxy-1-methylimidazo[4,5-b]pyridin-2-amine has a molecular weight of 500.90 g/mol, XLogP of 4.90, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-(4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)-6-(6-methoxypyrazolo[1,5-a]pyridin-3-yl)oxy-1-methylimidazo[4,5-b]pyridin-2-amine is sourced from PubChem (CID 164558811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).