N-(2,4-difluorophenyl)-3-(2,4-dimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-6-amine

C20H16F2N4O2 — CID 11660934

IUPACN-(2,4-difluorophenyl)-3-(2,4-dimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-6-amine
SMILESCOc1ccc(-c2[nH]nc3nc(Nc4ccc(F)cc4F)ccc23)c(OC)c1
InChIInChI=1S/C20H16F2N4O2/c1-27-12-4-5-13(17(10-12)28-2)19-14-6-8-18(24-20(14)26-25-19)23-16-7-3-11(21)9-15(16)22/h3-10H,1-2H3,(H2,23,24,25,26)
InChIKeyBWLZYZXJBQVIGR-UHFFFAOYSA-N
MW382.37 g/mol
LogP4.66
Rot. Bonds5

About N-(2,4-difluorophenyl)-3-(2,4-dimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-6-amine

N-(2,4-difluorophenyl)-3-(2,4-dimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-6-amine (PubChem CID 11660934) has the molecular formula C20H16F2N4O2 and a molecular weight of 382.37 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-3-(2,4-dimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-6-amine.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-3-(2,4-dimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-6-amine
PubChem CID11660934
Molecular FormulaC20H16F2N4O2
Molecular Weight382.37 g/mol
Exact Mass382.12
IUPAC NameN-(2,4-difluorophenyl)-3-(2,4-dimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-6-amine
SMILESCOc1ccc(-c2[nH]nc3nc(Nc4ccc(F)cc4F)ccc23)c(OC)c1
InChIInChI=1S/C20H16F2N4O2/c1-27-12-4-5-13(17(10-12)28-2)19-14-6-8-18(24-20(14)26-25-19)23-16-7-3-11(21)9-15(16)22/h3-10H,1-2H3,(H2,23,24,25,26)
InChIKeyBWLZYZXJBQVIGR-UHFFFAOYSA-N
XLogP4.66
TPSA72.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.37
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-3-(2,4-dimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-6-amine?
The IUPAC name of N-(2,4-difluorophenyl)-3-(2,4-dimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-6-amine (CID 11660934) is N-(2,4-difluorophenyl)-3-(2,4-dimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-6-amine.
What is the SMILES notation for N-(2,4-difluorophenyl)-3-(2,4-dimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-6-amine?
The canonical SMILES for N-(2,4-difluorophenyl)-3-(2,4-dimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-6-amine is COc1ccc(-c2[nH]nc3nc(Nc4ccc(F)cc4F)ccc23)c(OC)c1.
What is the InChIKey of N-(2,4-difluorophenyl)-3-(2,4-dimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-6-amine?
The InChIKey is BWLZYZXJBQVIGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2N4O2/c1-27-12-4-5-13(17(10-12)28-2)19-14-6-8-18(24-20(14)26-25-19)23-16-7-3-11(21)9-15(16)22/h3-10H,1-2H3,(H2,23,24,25,26).
What are the key properties of N-(2,4-difluorophenyl)-3-(2,4-dimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-6-amine?
N-(2,4-difluorophenyl)-3-(2,4-dimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-6-amine has a molecular weight of 382.37 g/mol, XLogP of 4.66, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-3-(2,4-dimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-6-amine is sourced from PubChem (CID 11660934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).