N-(2,4-difluorophenyl)-3-(2-methoxy-5-morpholin-4-ylphenyl)-2H-pyrazolo[3,4-b]pyridin-6-amine

C23H21F2N5O2 — CID 11662078

IUPACN-(2,4-difluorophenyl)-3-(2-methoxy-5-morpholin-4-ylphenyl)-2H-pyrazolo[3,4-b]pyridin-6-amine
SMILESCOc1ccc(N2CCOCC2)cc1-c1[nH]nc2nc(Nc3ccc(F)cc3F)ccc12
InChIInChI=1S/C23H21F2N5O2/c1-31-20-6-3-15(30-8-10-32-11-9-30)13-17(20)22-16-4-7-21(27-23(16)29-28-22)26-19-5-2-14(24)12-18(19)25/h2-7,12-13H,8-11H2,1H3,(H2,26,27,28,29)
InChIKeyDCHUVUWVTFIMPZ-UHFFFAOYSA-N
MW437.45 g/mol
LogP4.49
Rot. Bonds5

About N-(2,4-difluorophenyl)-3-(2-methoxy-5-morpholin-4-ylphenyl)-2H-pyrazolo[3,4-b]pyridin-6-amine

N-(2,4-difluorophenyl)-3-(2-methoxy-5-morpholin-4-ylphenyl)-2H-pyrazolo[3,4-b]pyridin-6-amine (PubChem CID 11662078) has the molecular formula C23H21F2N5O2 and a molecular weight of 437.45 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-3-(2-methoxy-5-morpholin-4-ylphenyl)-2H-pyrazolo[3,4-b]pyridin-6-amine.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-3-(2-methoxy-5-morpholin-4-ylphenyl)-2H-pyrazolo[3,4-b]pyridin-6-amine
PubChem CID11662078
Molecular FormulaC23H21F2N5O2
Molecular Weight437.45 g/mol
Exact Mass437.17
IUPAC NameN-(2,4-difluorophenyl)-3-(2-methoxy-5-morpholin-4-ylphenyl)-2H-pyrazolo[3,4-b]pyridin-6-amine
SMILESCOc1ccc(N2CCOCC2)cc1-c1[nH]nc2nc(Nc3ccc(F)cc3F)ccc12
InChIInChI=1S/C23H21F2N5O2/c1-31-20-6-3-15(30-8-10-32-11-9-30)13-17(20)22-16-4-7-21(27-23(16)29-28-22)26-19-5-2-14(24)12-18(19)25/h2-7,12-13H,8-11H2,1H3,(H2,26,27,28,29)
InChIKeyDCHUVUWVTFIMPZ-UHFFFAOYSA-N
XLogP4.49
TPSA75.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.45
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-3-(2-methoxy-5-morpholin-4-ylphenyl)-2H-pyrazolo[3,4-b]pyridin-6-amine?
The IUPAC name of N-(2,4-difluorophenyl)-3-(2-methoxy-5-morpholin-4-ylphenyl)-2H-pyrazolo[3,4-b]pyridin-6-amine (CID 11662078) is N-(2,4-difluorophenyl)-3-(2-methoxy-5-morpholin-4-ylphenyl)-2H-pyrazolo[3,4-b]pyridin-6-amine.
What is the SMILES notation for N-(2,4-difluorophenyl)-3-(2-methoxy-5-morpholin-4-ylphenyl)-2H-pyrazolo[3,4-b]pyridin-6-amine?
The canonical SMILES for N-(2,4-difluorophenyl)-3-(2-methoxy-5-morpholin-4-ylphenyl)-2H-pyrazolo[3,4-b]pyridin-6-amine is COc1ccc(N2CCOCC2)cc1-c1[nH]nc2nc(Nc3ccc(F)cc3F)ccc12.
What is the InChIKey of N-(2,4-difluorophenyl)-3-(2-methoxy-5-morpholin-4-ylphenyl)-2H-pyrazolo[3,4-b]pyridin-6-amine?
The InChIKey is DCHUVUWVTFIMPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F2N5O2/c1-31-20-6-3-15(30-8-10-32-11-9-30)13-17(20)22-16-4-7-21(27-23(16)29-28-22)26-19-5-2-14(24)12-18(19)25/h2-7,12-13H,8-11H2,1H3,(H2,26,27,28,29).
What are the key properties of N-(2,4-difluorophenyl)-3-(2-methoxy-5-morpholin-4-ylphenyl)-2H-pyrazolo[3,4-b]pyridin-6-amine?
N-(2,4-difluorophenyl)-3-(2-methoxy-5-morpholin-4-ylphenyl)-2H-pyrazolo[3,4-b]pyridin-6-amine has a molecular weight of 437.45 g/mol, XLogP of 4.49, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-3-(2-methoxy-5-morpholin-4-ylphenyl)-2H-pyrazolo[3,4-b]pyridin-6-amine is sourced from PubChem (CID 11662078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).