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

C21H19ClFN5O — CID 54670126

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
InChIInChI=1S/C21H19ClFN5O/c1-21(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/h3-11,29H,12H2,1-2H3,(H,24,26)
InChIKeyWOTJTSSYTZXHDO-UHFFFAOYSA-N
MW411.87 g/mol
LogP4.80
Rot. Bonds5

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 54670126) has the molecular formula C21H19ClFN5O and a molecular weight of 411.87 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 CID54670126
Molecular FormulaC21H19ClFN5O
Molecular Weight411.87 g/mol
Exact Mass411.13
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
InChIInChI=1S/C21H19ClFN5O/c1-21(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/h3-11,29H,12H2,1-2H3,(H,24,26)
InChIKeyWOTJTSSYTZXHDO-UHFFFAOYSA-N
XLogP4.80
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.87
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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 54670126) 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.
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 WOTJTSSYTZXHDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClFN5O/c1-21(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/h3-11,29H,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 411.87 g/mol, XLogP of 4.80, 5 rotatable bonds, 2 hydrogen bond donors, and 6 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 54670126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).