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

C22H23FN6O — CID 67469549

IUPAC1-[7-[[2-(3-fluoro-6-methyl-2-pyridinyl)-5-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]-2-methylpropan-2-ol
SMILESCc1ccc(F)c(-c2cc(Nc3ccnc4cn(CC(C)(C)O)nc34)c(C)cn2)n1
InChIInChI=1S/C22H23FN6O/c1-13-10-25-18(20-15(23)6-5-14(2)26-20)9-17(13)27-16-7-8-24-19-11-29(28-21(16)19)12-22(3,4)30/h5-11,30H,12H2,1-4H3,(H,25,27)
InChIKeyDXEMNLBPRYLPKT-UHFFFAOYSA-N
MW406.47 g/mol
LogP4.16
Rot. Bonds5

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

1-[7-[[2-(3-fluoro-6-methyl-2-pyridinyl)-5-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]-2-methylpropan-2-ol (PubChem CID 67469549) has the molecular formula C22H23FN6O and a molecular weight of 406.47 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]-2-methylpropan-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]-2-methylpropan-2-ol
PubChem CID67469549
Molecular FormulaC22H23FN6O
Molecular Weight406.47 g/mol
Exact Mass406.19
IUPAC Name1-[7-[[2-(3-fluoro-6-methyl-2-pyridinyl)-5-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]-2-methylpropan-2-ol
SMILESCc1ccc(F)c(-c2cc(Nc3ccnc4cn(CC(C)(C)O)nc34)c(C)cn2)n1
InChIInChI=1S/C22H23FN6O/c1-13-10-25-18(20-15(23)6-5-14(2)26-20)9-17(13)27-16-7-8-24-19-11-29(28-21(16)19)12-22(3,4)30/h5-11,30H,12H2,1-4H3,(H,25,27)
InChIKeyDXEMNLBPRYLPKT-UHFFFAOYSA-N
XLogP4.16
TPSA88.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.47
LogP ≤ 54.16
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]-2-methylpropan-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]-2-methylpropan-2-ol (CID 67469549) is 1-[7-[[2-(3-fluoro-6-methyl-2-pyridinyl)-5-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]-2-methylpropan-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]-2-methylpropan-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]-2-methylpropan-2-ol is Cc1ccc(F)c(-c2cc(Nc3ccnc4cn(CC(C)(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]-2-methylpropan-2-ol?
The InChIKey is DXEMNLBPRYLPKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN6O/c1-13-10-25-18(20-15(23)6-5-14(2)26-20)9-17(13)27-16-7-8-24-19-11-29(28-21(16)19)12-22(3,4)30/h5-11,30H,12H2,1-4H3,(H,25,27).
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]-2-methylpropan-2-ol?
1-[7-[[2-(3-fluoro-6-methyl-2-pyridinyl)-5-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]-2-methylpropan-2-ol has a molecular weight of 406.47 g/mol, XLogP of 4.16, 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]-2-methylpropan-2-ol is sourced from PubChem (CID 67469549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).