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

C21H19F2N5O — CID 67470405

IUPAC1-[7-[[2-(2,5-difluorophenyl)-5-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-1-yl]propan-2-ol
SMILESCc1cnc(-c2cc(F)ccc2F)cc1Nc1ccnc2cnn(CC(C)O)c12
InChIInChI=1S/C21H19F2N5O/c1-12-9-25-19(15-7-14(22)3-4-16(15)23)8-18(12)27-17-5-6-24-20-10-26-28(21(17)20)11-13(2)29/h3-10,13,29H,11H2,1-2H3,(H,24,25,27)
InChIKeyPQZIGFJNJYUDOU-UHFFFAOYSA-N
MW395.41 g/mol
LogP4.20
Rot. Bonds5

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

1-[7-[[2-(2,5-difluorophenyl)-5-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-1-yl]propan-2-ol (PubChem CID 67470405) has the molecular formula C21H19F2N5O and a molecular weight of 395.41 g/mol. Its IUPAC name is 1-[7-[[2-(2,5-difluorophenyl)-5-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-[7-[[2-(2,5-difluorophenyl)-5-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-1-yl]propan-2-ol
PubChem CID67470405
Molecular FormulaC21H19F2N5O
Molecular Weight395.41 g/mol
Exact Mass395.16
IUPAC Name1-[7-[[2-(2,5-difluorophenyl)-5-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-1-yl]propan-2-ol
SMILESCc1cnc(-c2cc(F)ccc2F)cc1Nc1ccnc2cnn(CC(C)O)c12
InChIInChI=1S/C21H19F2N5O/c1-12-9-25-19(15-7-14(22)3-4-16(15)23)8-18(12)27-17-5-6-24-20-10-26-28(21(17)20)11-13(2)29/h3-10,13,29H,11H2,1-2H3,(H,24,25,27)
InChIKeyPQZIGFJNJYUDOU-UHFFFAOYSA-N
XLogP4.20
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.41
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[7-[[2-(2,5-difluorophenyl)-5-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-1-yl]propan-2-ol?
The IUPAC name of 1-[7-[[2-(2,5-difluorophenyl)-5-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-1-yl]propan-2-ol (CID 67470405) is 1-[7-[[2-(2,5-difluorophenyl)-5-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-1-yl]propan-2-ol.
What is the SMILES notation for 1-[7-[[2-(2,5-difluorophenyl)-5-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-1-yl]propan-2-ol?
The canonical SMILES for 1-[7-[[2-(2,5-difluorophenyl)-5-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-1-yl]propan-2-ol is Cc1cnc(-c2cc(F)ccc2F)cc1Nc1ccnc2cnn(CC(C)O)c12.
What is the InChIKey of 1-[7-[[2-(2,5-difluorophenyl)-5-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-1-yl]propan-2-ol?
The InChIKey is PQZIGFJNJYUDOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2N5O/c1-12-9-25-19(15-7-14(22)3-4-16(15)23)8-18(12)27-17-5-6-24-20-10-26-28(21(17)20)11-13(2)29/h3-10,13,29H,11H2,1-2H3,(H,24,25,27).
What are the key properties of 1-[7-[[2-(2,5-difluorophenyl)-5-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-1-yl]propan-2-ol?
1-[7-[[2-(2,5-difluorophenyl)-5-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-1-yl]propan-2-ol has a molecular weight of 395.41 g/mol, XLogP of 4.20, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-[[2-(2,5-difluorophenyl)-5-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-1-yl]propan-2-ol is sourced from PubChem (CID 67470405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).