1-[7-[[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]-2-methylpropan-2-ol

C42H38Cl2F2N10O2 — CID 67469609

IUPAC1-[7-[[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]-2-methylpropan-2-ol
SMILESCC(C)(O)Cn1cc2nccc(Nc3ccnc(-c4cc(Cl)ccc4F)c3)c2n1.CC(C)(O)Cn1cc2nccc(Nc3ccnc(-c4cc(Cl)ccc4F)c3)c2n1
InChIInChI=1S/2C21H19ClFN5O/c2*1-21(2,29)12-28-11-19-20(27-28)17(6-8-25-19)26-14-5-7-24-18(10-14)15-9-13(22)3-4-16(15)23/h2*3-11,29H,12H2,1-2H3,(H,24,26)
InChIKeyVSHDGDDERLPFOY-UHFFFAOYSA-N
MW823.74 g/mol
LogP9.60
Rot. Bonds10

About 1-[7-[[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]-2-methylpropan-2-ol

1-[7-[[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]-2-methylpropan-2-ol (PubChem CID 67469609) has the molecular formula C42H38Cl2F2N10O2 and a molecular weight of 823.74 g/mol. Its IUPAC name is 1-[7-[[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[7-[[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]-2-methylpropan-2-ol
PubChem CID67469609
Molecular FormulaC42H38Cl2F2N10O2
Molecular Weight823.74 g/mol
Exact Mass822.25
IUPAC Name1-[7-[[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]-2-methylpropan-2-ol
SMILESCC(C)(O)Cn1cc2nccc(Nc3ccnc(-c4cc(Cl)ccc4F)c3)c2n1.CC(C)(O)Cn1cc2nccc(Nc3ccnc(-c4cc(Cl)ccc4F)c3)c2n1
InChIInChI=1S/2C21H19ClFN5O/c2*1-21(2,29)12-28-11-19-20(27-28)17(6-8-25-19)26-14-5-7-24-18(10-14)15-9-13(22)3-4-16(15)23/h2*3-11,29H,12H2,1-2H3,(H,24,26)
InChIKeyVSHDGDDERLPFOY-UHFFFAOYSA-N
XLogP9.60
TPSA151.72 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms58
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500823.74
LogP ≤ 59.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

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Frequently Asked Questions

What is the IUPAC name of 1-[7-[[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]-2-methylpropan-2-ol?
The IUPAC name of 1-[7-[[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]-2-methylpropan-2-ol (CID 67469609) is 1-[7-[[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[7-[[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]-2-methylpropan-2-ol?
The canonical SMILES for 1-[7-[[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]-2-methylpropan-2-ol is CC(C)(O)Cn1cc2nccc(Nc3ccnc(-c4cc(Cl)ccc4F)c3)c2n1.CC(C)(O)Cn1cc2nccc(Nc3ccnc(-c4cc(Cl)ccc4F)c3)c2n1.
What is the InChIKey of 1-[7-[[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]-2-methylpropan-2-ol?
The InChIKey is VSHDGDDERLPFOY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H19ClFN5O/c2*1-21(2,29)12-28-11-19-20(27-28)17(6-8-25-19)26-14-5-7-24-18(10-14)15-9-13(22)3-4-16(15)23/h2*3-11,29H,12H2,1-2H3,(H,24,26).
What are the key properties of 1-[7-[[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]-2-methylpropan-2-ol?
1-[7-[[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]-2-methylpropan-2-ol has a molecular weight of 823.74 g/mol, XLogP of 9.60, 10 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-[[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]-2-methylpropan-2-ol is sourced from PubChem (CID 67469609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).