1-[7-[[2-(3-fluoro-6-methyl-2-pyridinyl)-5-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]propan-2-ol

C21H21FN6O — CID 67469544

IUPAC1-[7-[[2-(3-fluoro-6-methyl-2-pyridinyl)-5-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]propan-2-ol
SMILESCc1ccc(F)c(-c2cc(Nc3ccnc4cn(CC(C)O)nc34)c(C)cn2)n1
InChIInChI=1S/C21H21FN6O/c1-12-9-24-18(20-15(22)5-4-13(2)25-20)8-17(12)26-16-6-7-23-19-11-28(10-14(3)29)27-21(16)19/h4-9,11,14,29H,10H2,1-3H3,(H,24,26)
InChIKeyMWKVUZONKPVGIO-UHFFFAOYSA-N
MW392.44 g/mol
LogP3.77
Rot. Bonds5

About 1-[7-[[2-(3-fluoro-6-methyl-2-pyridinyl)-5-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]propan-2-ol

1-[7-[[2-(3-fluoro-6-methyl-2-pyridinyl)-5-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]propan-2-ol (PubChem CID 67469544) has the molecular formula C21H21FN6O and a molecular weight of 392.44 g/mol. Its IUPAC name is 1-[7-[[2-(3-fluoro-6-methyl-2-pyridinyl)-5-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]propan-2-ol.

Molecular Properties

Compound Name1-[7-[[2-(3-fluoro-6-methyl-2-pyridinyl)-5-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]propan-2-ol
PubChem CID67469544
Molecular FormulaC21H21FN6O
Molecular Weight392.44 g/mol
Exact Mass392.18
IUPAC Name1-[7-[[2-(3-fluoro-6-methyl-2-pyridinyl)-5-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]propan-2-ol
SMILESCc1ccc(F)c(-c2cc(Nc3ccnc4cn(CC(C)O)nc34)c(C)cn2)n1
InChIInChI=1S/C21H21FN6O/c1-12-9-24-18(20-15(22)5-4-13(2)25-20)8-17(12)26-16-6-7-23-19-11-28(10-14(3)29)27-21(16)19/h4-9,11,14,29H,10H2,1-3H3,(H,24,26)
InChIKeyMWKVUZONKPVGIO-UHFFFAOYSA-N
XLogP3.77
TPSA88.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.44
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[7-[[2-(3-fluoro-6-methyl-2-pyridinyl)-5-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]propan-2-ol?
The IUPAC name of 1-[7-[[2-(3-fluoro-6-methyl-2-pyridinyl)-5-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]propan-2-ol (CID 67469544) is 1-[7-[[2-(3-fluoro-6-methyl-2-pyridinyl)-5-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]propan-2-ol.
What is the SMILES notation for 1-[7-[[2-(3-fluoro-6-methyl-2-pyridinyl)-5-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]propan-2-ol?
The canonical SMILES for 1-[7-[[2-(3-fluoro-6-methyl-2-pyridinyl)-5-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]propan-2-ol is Cc1ccc(F)c(-c2cc(Nc3ccnc4cn(CC(C)O)nc34)c(C)cn2)n1.
What is the InChIKey of 1-[7-[[2-(3-fluoro-6-methyl-2-pyridinyl)-5-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]propan-2-ol?
The InChIKey is MWKVUZONKPVGIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN6O/c1-12-9-24-18(20-15(22)5-4-13(2)25-20)8-17(12)26-16-6-7-23-19-11-28(10-14(3)29)27-21(16)19/h4-9,11,14,29H,10H2,1-3H3,(H,24,26).
What are the key properties of 1-[7-[[2-(3-fluoro-6-methyl-2-pyridinyl)-5-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]propan-2-ol?
1-[7-[[2-(3-fluoro-6-methyl-2-pyridinyl)-5-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]propan-2-ol has a molecular weight of 392.44 g/mol, XLogP of 3.77, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-[[2-(3-fluoro-6-methyl-2-pyridinyl)-5-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]propan-2-ol is sourced from PubChem (CID 67469544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).