5-[3-(difluoromethoxy)phenyl]-N-[(3R)-oxolan-3-yl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine

C20H22F2N4O2 — CID 150945753

IUPAC5-[3-(difluoromethoxy)phenyl]-N-[(3R)-oxolan-3-yl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine
SMILESCC(C)n1ncc2nc(-c3cccc(OC(F)F)c3)cc(N[C@@H]3CCOC3)c21
InChIInChI=1S/C20H22F2N4O2/c1-12(2)26-19-17(24-14-6-7-27-11-14)9-16(25-18(19)10-23-26)13-4-3-5-15(8-13)28-20(21)22/h3-5,8-10,12,14,20H,6-7,11H2,1-2H3,(H,24,25)/t14-/m1/s1
InChIKeyLJAABDRXLATXLP-CQSZACIVSA-N
MW388.42 g/mol
LogP4.48
Rot. Bonds6

About 5-[3-(difluoromethoxy)phenyl]-N-[(3R)-oxolan-3-yl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine

5-[3-(difluoromethoxy)phenyl]-N-[(3R)-oxolan-3-yl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine (PubChem CID 150945753) has the molecular formula C20H22F2N4O2 and a molecular weight of 388.42 g/mol. Its IUPAC name is 5-[3-(difluoromethoxy)phenyl]-N-[(3R)-oxolan-3-yl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine.

Molecular Properties

Compound Name5-[3-(difluoromethoxy)phenyl]-N-[(3R)-oxolan-3-yl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine
PubChem CID150945753
Molecular FormulaC20H22F2N4O2
Molecular Weight388.42 g/mol
Exact Mass388.17
IUPAC Name5-[3-(difluoromethoxy)phenyl]-N-[(3R)-oxolan-3-yl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine
SMILESCC(C)n1ncc2nc(-c3cccc(OC(F)F)c3)cc(N[C@@H]3CCOC3)c21
InChIInChI=1S/C20H22F2N4O2/c1-12(2)26-19-17(24-14-6-7-27-11-14)9-16(25-18(19)10-23-26)13-4-3-5-15(8-13)28-20(21)22/h3-5,8-10,12,14,20H,6-7,11H2,1-2H3,(H,24,25)/t14-/m1/s1
InChIKeyLJAABDRXLATXLP-CQSZACIVSA-N
XLogP4.48
TPSA61.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(difluoromethoxy)phenyl]-N-[(3R)-oxolan-3-yl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine?
The IUPAC name of 5-[3-(difluoromethoxy)phenyl]-N-[(3R)-oxolan-3-yl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine (CID 150945753) is 5-[3-(difluoromethoxy)phenyl]-N-[(3R)-oxolan-3-yl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine.
What is the SMILES notation for 5-[3-(difluoromethoxy)phenyl]-N-[(3R)-oxolan-3-yl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine?
The canonical SMILES for 5-[3-(difluoromethoxy)phenyl]-N-[(3R)-oxolan-3-yl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine is CC(C)n1ncc2nc(-c3cccc(OC(F)F)c3)cc(N[C@@H]3CCOC3)c21.
What is the InChIKey of 5-[3-(difluoromethoxy)phenyl]-N-[(3R)-oxolan-3-yl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine?
The InChIKey is LJAABDRXLATXLP-CQSZACIVSA-N. The full InChI is InChI=1S/C20H22F2N4O2/c1-12(2)26-19-17(24-14-6-7-27-11-14)9-16(25-18(19)10-23-26)13-4-3-5-15(8-13)28-20(21)22/h3-5,8-10,12,14,20H,6-7,11H2,1-2H3,(H,24,25)/t14-/m1/s1.
What are the key properties of 5-[3-(difluoromethoxy)phenyl]-N-[(3R)-oxolan-3-yl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine?
5-[3-(difluoromethoxy)phenyl]-N-[(3R)-oxolan-3-yl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine has a molecular weight of 388.42 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(difluoromethoxy)phenyl]-N-[(3R)-oxolan-3-yl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine is sourced from PubChem (CID 150945753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).