N-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-4-yloxy)-3-fluorophenyl]-5-(4-fluorophenyl)-4-oxo-1H-pyridine-3-carboxamide

C25H18F2N4O3 — CID 72700713

IUPACN-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-4-yloxy)-3-fluorophenyl]-5-(4-fluorophenyl)-4-oxo-1H-pyridine-3-carboxamide
SMILESO=C(Nc1ccc(Oc2ccnc3c2CCN3)c(F)c1)c1c[nH]cc(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C25H18F2N4O3/c26-15-3-1-14(2-4-15)18-12-28-13-19(23(18)32)25(33)31-16-5-6-22(20(27)11-16)34-21-8-10-30-24-17(21)7-9-29-24/h1-6,8,10-13H,7,9H2,(H,28,32)(H,29,30)(H,31,33)
InChIKeyDGMFNZXEGKFREH-UHFFFAOYSA-N
MW460.44 g/mol
LogP4.73
Rot. Bonds5

About N-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-4-yloxy)-3-fluorophenyl]-5-(4-fluorophenyl)-4-oxo-1H-pyridine-3-carboxamide

N-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-4-yloxy)-3-fluorophenyl]-5-(4-fluorophenyl)-4-oxo-1H-pyridine-3-carboxamide (PubChem CID 72700713) has the molecular formula C25H18F2N4O3 and a molecular weight of 460.44 g/mol. Its IUPAC name is N-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-4-yloxy)-3-fluorophenyl]-5-(4-fluorophenyl)-4-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-4-yloxy)-3-fluorophenyl]-5-(4-fluorophenyl)-4-oxo-1H-pyridine-3-carboxamide
PubChem CID72700713
Molecular FormulaC25H18F2N4O3
Molecular Weight460.44 g/mol
Exact Mass460.13
IUPAC NameN-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-4-yloxy)-3-fluorophenyl]-5-(4-fluorophenyl)-4-oxo-1H-pyridine-3-carboxamide
SMILESO=C(Nc1ccc(Oc2ccnc3c2CCN3)c(F)c1)c1c[nH]cc(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C25H18F2N4O3/c26-15-3-1-14(2-4-15)18-12-28-13-19(23(18)32)25(33)31-16-5-6-22(20(27)11-16)34-21-8-10-30-24-17(21)7-9-29-24/h1-6,8,10-13H,7,9H2,(H,28,32)(H,29,30)(H,31,33)
InChIKeyDGMFNZXEGKFREH-UHFFFAOYSA-N
XLogP4.73
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.44
LogP ≤ 54.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-4-yloxy)-3-fluorophenyl]-5-(4-fluorophenyl)-4-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-4-yloxy)-3-fluorophenyl]-5-(4-fluorophenyl)-4-oxo-1H-pyridine-3-carboxamide (CID 72700713) is N-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-4-yloxy)-3-fluorophenyl]-5-(4-fluorophenyl)-4-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-4-yloxy)-3-fluorophenyl]-5-(4-fluorophenyl)-4-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-4-yloxy)-3-fluorophenyl]-5-(4-fluorophenyl)-4-oxo-1H-pyridine-3-carboxamide is O=C(Nc1ccc(Oc2ccnc3c2CCN3)c(F)c1)c1c[nH]cc(-c2ccc(F)cc2)c1=O.
What is the InChIKey of N-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-4-yloxy)-3-fluorophenyl]-5-(4-fluorophenyl)-4-oxo-1H-pyridine-3-carboxamide?
The InChIKey is DGMFNZXEGKFREH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18F2N4O3/c26-15-3-1-14(2-4-15)18-12-28-13-19(23(18)32)25(33)31-16-5-6-22(20(27)11-16)34-21-8-10-30-24-17(21)7-9-29-24/h1-6,8,10-13H,7,9H2,(H,28,32)(H,29,30)(H,31,33).
What are the key properties of N-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-4-yloxy)-3-fluorophenyl]-5-(4-fluorophenyl)-4-oxo-1H-pyridine-3-carboxamide?
N-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-4-yloxy)-3-fluorophenyl]-5-(4-fluorophenyl)-4-oxo-1H-pyridine-3-carboxamide has a molecular weight of 460.44 g/mol, XLogP of 4.73, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-4-yloxy)-3-fluorophenyl]-5-(4-fluorophenyl)-4-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 72700713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).