N-(3,5-difluorophenyl)-2-(4-morpholin-4-ylphenyl)-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-amine

C24H19F5N4O — CID 71717974

IUPACN-(3,5-difluorophenyl)-2-(4-morpholin-4-ylphenyl)-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-amine
SMILESFc1cc(F)cc(Nc2c(C(F)(F)F)cnc3[nH]c(-c4ccc(N5CCOCC5)cc4)cc23)c1
InChIInChI=1S/C24H19F5N4O/c25-15-9-16(26)11-17(10-15)31-22-19-12-21(32-23(19)30-13-20(22)24(27,28)29)14-1-3-18(4-2-14)33-5-7-34-8-6-33/h1-4,9-13H,5-8H2,(H2,30,31,32)
InChIKeyUUUWGYOSJVGVMJ-UHFFFAOYSA-N
MW474.43 g/mol
LogP6.11
Rot. Bonds4

About N-(3,5-difluorophenyl)-2-(4-morpholin-4-ylphenyl)-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-amine

N-(3,5-difluorophenyl)-2-(4-morpholin-4-ylphenyl)-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-amine (PubChem CID 71717974) has the molecular formula C24H19F5N4O and a molecular weight of 474.43 g/mol. Its IUPAC name is N-(3,5-difluorophenyl)-2-(4-morpholin-4-ylphenyl)-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-amine.

Molecular Properties

Compound NameN-(3,5-difluorophenyl)-2-(4-morpholin-4-ylphenyl)-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-amine
PubChem CID71717974
Molecular FormulaC24H19F5N4O
Molecular Weight474.43 g/mol
Exact Mass474.15
IUPAC NameN-(3,5-difluorophenyl)-2-(4-morpholin-4-ylphenyl)-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-amine
SMILESFc1cc(F)cc(Nc2c(C(F)(F)F)cnc3[nH]c(-c4ccc(N5CCOCC5)cc4)cc23)c1
InChIInChI=1S/C24H19F5N4O/c25-15-9-16(26)11-17(10-15)31-22-19-12-21(32-23(19)30-13-20(22)24(27,28)29)14-1-3-18(4-2-14)33-5-7-34-8-6-33/h1-4,9-13H,5-8H2,(H2,30,31,32)
InChIKeyUUUWGYOSJVGVMJ-UHFFFAOYSA-N
XLogP6.11
TPSA53.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.43
LogP ≤ 56.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_G(9)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-difluorophenyl)-2-(4-morpholin-4-ylphenyl)-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-amine?
The IUPAC name of N-(3,5-difluorophenyl)-2-(4-morpholin-4-ylphenyl)-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-amine (CID 71717974) is N-(3,5-difluorophenyl)-2-(4-morpholin-4-ylphenyl)-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-amine.
What is the SMILES notation for N-(3,5-difluorophenyl)-2-(4-morpholin-4-ylphenyl)-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-amine?
The canonical SMILES for N-(3,5-difluorophenyl)-2-(4-morpholin-4-ylphenyl)-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-amine is Fc1cc(F)cc(Nc2c(C(F)(F)F)cnc3[nH]c(-c4ccc(N5CCOCC5)cc4)cc23)c1.
What is the InChIKey of N-(3,5-difluorophenyl)-2-(4-morpholin-4-ylphenyl)-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-amine?
The InChIKey is UUUWGYOSJVGVMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F5N4O/c25-15-9-16(26)11-17(10-15)31-22-19-12-21(32-23(19)30-13-20(22)24(27,28)29)14-1-3-18(4-2-14)33-5-7-34-8-6-33/h1-4,9-13H,5-8H2,(H2,30,31,32).
What are the key properties of N-(3,5-difluorophenyl)-2-(4-morpholin-4-ylphenyl)-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-amine?
N-(3,5-difluorophenyl)-2-(4-morpholin-4-ylphenyl)-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-amine has a molecular weight of 474.43 g/mol, XLogP of 6.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-difluorophenyl)-2-(4-morpholin-4-ylphenyl)-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-amine is sourced from PubChem (CID 71717974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).