7-[4-(fluoromethoxy)phenyl]-N-(3-methoxyphenyl)-6-oxo-1H-pyrrolo[2,3-b]pyridine-2-carboxamide

C22H18FN3O4 — CID 118963769

IUPAC7-[4-(fluoromethoxy)phenyl]-N-(3-methoxyphenyl)-6-oxo-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
SMILESCOc1cccc(NC(=O)c2cc3ccc(=O)n(-c4ccc(OCF)cc4)c3[nH]2)c1
InChIInChI=1S/C22H18FN3O4/c1-29-18-4-2-3-15(12-18)24-22(28)19-11-14-5-10-20(27)26(21(14)25-19)16-6-8-17(9-7-16)30-13-23/h2-12,25H,13H2,1H3,(H,24,28)
InChIKeyPYTOITKACHORRQ-UHFFFAOYSA-N
MW407.40 g/mol
LogP3.89
Rot. Bonds6

About 7-[4-(fluoromethoxy)phenyl]-N-(3-methoxyphenyl)-6-oxo-1H-pyrrolo[2,3-b]pyridine-2-carboxamide

7-[4-(fluoromethoxy)phenyl]-N-(3-methoxyphenyl)-6-oxo-1H-pyrrolo[2,3-b]pyridine-2-carboxamide (PubChem CID 118963769) has the molecular formula C22H18FN3O4 and a molecular weight of 407.40 g/mol. Its IUPAC name is 7-[4-(fluoromethoxy)phenyl]-N-(3-methoxyphenyl)-6-oxo-1H-pyrrolo[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name7-[4-(fluoromethoxy)phenyl]-N-(3-methoxyphenyl)-6-oxo-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
PubChem CID118963769
Molecular FormulaC22H18FN3O4
Molecular Weight407.40 g/mol
Exact Mass407.13
IUPAC Name7-[4-(fluoromethoxy)phenyl]-N-(3-methoxyphenyl)-6-oxo-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
SMILESCOc1cccc(NC(=O)c2cc3ccc(=O)n(-c4ccc(OCF)cc4)c3[nH]2)c1
InChIInChI=1S/C22H18FN3O4/c1-29-18-4-2-3-15(12-18)24-22(28)19-11-14-5-10-20(27)26(21(14)25-19)16-6-8-17(9-7-16)30-13-23/h2-12,25H,13H2,1H3,(H,24,28)
InChIKeyPYTOITKACHORRQ-UHFFFAOYSA-N
XLogP3.89
TPSA85.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.40
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 7-[4-(fluoromethoxy)phenyl]-N-(3-methoxyphenyl)-6-oxo-1H-pyrrolo[2,3-b]pyridine-2-carboxamide with MolForge

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Related Compounds

N-(3-methoxyphenyl)-6-oxo-7-(4-propoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 118963780
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CID 113207365
N-(3-methoxyphenyl)-1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carboxamide
CID 34319459
6-oxo-7-(4-propan-2-yloxyphenyl)-N-(pyridin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 58051534
N-(3-fluorophenyl)-6-methoxy-1H-indole-2-carboxamide
CID 110862680
N-(3-methoxyphenyl)-5-oxo-1,2-dihydropyrazole-3-carboxamide
CID 112513876
3-N-(3-methoxyphenyl)-1-N-(4-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109057620
1-(3-methoxyphenyl)-3-(4-methoxyphenyl)urea
CID 872322
N-[3-(cyanomethoxy)phenyl]-4-methoxybenzamide
CID 43369186
3-ethyl-N,1-bis(3-methoxyphenyl)-5-oxo-2H-triazol-3-ium-4-carboxamide
CID 4874556
1-N-(4-fluorophenyl)-3-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109057463
4-hexoxy-N-(3-methoxyphenyl)benzamide
CID 4933605

Frequently Asked Questions

What is the IUPAC name of 7-[4-(fluoromethoxy)phenyl]-N-(3-methoxyphenyl)-6-oxo-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 7-[4-(fluoromethoxy)phenyl]-N-(3-methoxyphenyl)-6-oxo-1H-pyrrolo[2,3-b]pyridine-2-carboxamide (CID 118963769) is 7-[4-(fluoromethoxy)phenyl]-N-(3-methoxyphenyl)-6-oxo-1H-pyrrolo[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 7-[4-(fluoromethoxy)phenyl]-N-(3-methoxyphenyl)-6-oxo-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 7-[4-(fluoromethoxy)phenyl]-N-(3-methoxyphenyl)-6-oxo-1H-pyrrolo[2,3-b]pyridine-2-carboxamide is COc1cccc(NC(=O)c2cc3ccc(=O)n(-c4ccc(OCF)cc4)c3[nH]2)c1.
What is the InChIKey of 7-[4-(fluoromethoxy)phenyl]-N-(3-methoxyphenyl)-6-oxo-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
The InChIKey is PYTOITKACHORRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN3O4/c1-29-18-4-2-3-15(12-18)24-22(28)19-11-14-5-10-20(27)26(21(14)25-19)16-6-8-17(9-7-16)30-13-23/h2-12,25H,13H2,1H3,(H,24,28).
What are the key properties of 7-[4-(fluoromethoxy)phenyl]-N-(3-methoxyphenyl)-6-oxo-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
7-[4-(fluoromethoxy)phenyl]-N-(3-methoxyphenyl)-6-oxo-1H-pyrrolo[2,3-b]pyridine-2-carboxamide has a molecular weight of 407.40 g/mol, XLogP of 3.89, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(fluoromethoxy)phenyl]-N-(3-methoxyphenyl)-6-oxo-1H-pyrrolo[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 118963769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).