(4-amino-1H-pyrrolo[2,3-b]pyridin-3-yl)-[5-(2-fluorophenoxy)-3-methoxy-2-pyridinyl]methanone

C20H15FN4O3 — CID 155366934

IUPAC(4-amino-1H-pyrrolo[2,3-b]pyridin-3-yl)-[5-(2-fluorophenoxy)-3-methoxy-2-pyridinyl]methanone
SMILESCOc1cc(Oc2ccccc2F)cnc1C(=O)c1c[nH]c2nccc(N)c12
InChIInChI=1S/C20H15FN4O3/c1-27-16-8-11(28-15-5-3-2-4-13(15)21)9-24-18(16)19(26)12-10-25-20-17(12)14(22)6-7-23-20/h2-10H,1H3,(H3,22,23,25)
InChIKeySUUWOKNRRLJGPQ-UHFFFAOYSA-N
MW378.36 g/mol
LogP3.71
Rot. Bonds5

About (4-amino-1H-pyrrolo[2,3-b]pyridin-3-yl)-[5-(2-fluorophenoxy)-3-methoxy-2-pyridinyl]methanone

(4-amino-1H-pyrrolo[2,3-b]pyridin-3-yl)-[5-(2-fluorophenoxy)-3-methoxy-2-pyridinyl]methanone (PubChem CID 155366934) has the molecular formula C20H15FN4O3 and a molecular weight of 378.36 g/mol. Its IUPAC name is (4-amino-1H-pyrrolo[2,3-b]pyridin-3-yl)-[5-(2-fluorophenoxy)-3-methoxy-2-pyridinyl]methanone.

Molecular Properties

Compound Name(4-amino-1H-pyrrolo[2,3-b]pyridin-3-yl)-[5-(2-fluorophenoxy)-3-methoxy-2-pyridinyl]methanone
PubChem CID155366934
Molecular FormulaC20H15FN4O3
Molecular Weight378.36 g/mol
Exact Mass378.11
IUPAC Name(4-amino-1H-pyrrolo[2,3-b]pyridin-3-yl)-[5-(2-fluorophenoxy)-3-methoxy-2-pyridinyl]methanone
SMILESCOc1cc(Oc2ccccc2F)cnc1C(=O)c1c[nH]c2nccc(N)c12
InChIInChI=1S/C20H15FN4O3/c1-27-16-8-11(28-15-5-3-2-4-13(15)21)9-24-18(16)19(26)12-10-25-20-17(12)14(22)6-7-23-20/h2-10H,1H3,(H3,22,23,25)
InChIKeySUUWOKNRRLJGPQ-UHFFFAOYSA-N
XLogP3.71
TPSA103.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.36
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (4-amino-1H-pyrrolo[2,3-b]pyridin-3-yl)-[5-(2-fluorophenoxy)-3-methoxy-2-pyridinyl]methanone with MolForge

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Related Compounds

(4-amino-1H-pyrrolo[2,3-b]pyridin-3-yl)-[2-fluoro-4-(2-fluorophenoxy)-6-methylphenyl]methanone
CID 155366986
(4-amino-1H-pyrrolo[2,3-b]pyridin-3-yl)-[2-cyclopropyl-4-(2-fluorophenoxy)phenyl]methanone
CID 155366939
(4-amino-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2,6-difluoro-4-phenoxyphenyl)methanone
CID 155366962
(4-amino-5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-[4-(2-fluorophenoxy)-2-methylphenyl]methanone
CID 155366992
1-(4-amino-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone
CID 123135068
(4-amino-1H-pyrrolo[2,3-b]pyridin-3-yl)-[2-chloro-4-(4-chlorophenoxy)phenyl]methanone
CID 155367080
(3-amino-4-methoxyphenyl)-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 115512784
(2-amino-4,5-difluorophenyl)-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 115512798
(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2-fluoro-4-methoxyphenyl)methanone
CID 102882309
2,4-difluorophenol;[5-(2,4-difluorophenoxy)-3-fluoro-2-pyridinyl]-(2-methoxyphenyl)methanone;(3,5-difluoro-2-pyridinyl)-(2-methoxyphenyl)methanone
CID 162231182
(3-amino-4-fluorophenyl)-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 115512800
1-[4-(4-amino-2-fluorophenoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]-2,2,2-trichloroethanone
CID 21081505

Frequently Asked Questions

What is the IUPAC name of (4-amino-1H-pyrrolo[2,3-b]pyridin-3-yl)-[5-(2-fluorophenoxy)-3-methoxy-2-pyridinyl]methanone?
The IUPAC name of (4-amino-1H-pyrrolo[2,3-b]pyridin-3-yl)-[5-(2-fluorophenoxy)-3-methoxy-2-pyridinyl]methanone (CID 155366934) is (4-amino-1H-pyrrolo[2,3-b]pyridin-3-yl)-[5-(2-fluorophenoxy)-3-methoxy-2-pyridinyl]methanone.
What is the SMILES notation for (4-amino-1H-pyrrolo[2,3-b]pyridin-3-yl)-[5-(2-fluorophenoxy)-3-methoxy-2-pyridinyl]methanone?
The canonical SMILES for (4-amino-1H-pyrrolo[2,3-b]pyridin-3-yl)-[5-(2-fluorophenoxy)-3-methoxy-2-pyridinyl]methanone is COc1cc(Oc2ccccc2F)cnc1C(=O)c1c[nH]c2nccc(N)c12.
What is the InChIKey of (4-amino-1H-pyrrolo[2,3-b]pyridin-3-yl)-[5-(2-fluorophenoxy)-3-methoxy-2-pyridinyl]methanone?
The InChIKey is SUUWOKNRRLJGPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN4O3/c1-27-16-8-11(28-15-5-3-2-4-13(15)21)9-24-18(16)19(26)12-10-25-20-17(12)14(22)6-7-23-20/h2-10H,1H3,(H3,22,23,25).
What are the key properties of (4-amino-1H-pyrrolo[2,3-b]pyridin-3-yl)-[5-(2-fluorophenoxy)-3-methoxy-2-pyridinyl]methanone?
(4-amino-1H-pyrrolo[2,3-b]pyridin-3-yl)-[5-(2-fluorophenoxy)-3-methoxy-2-pyridinyl]methanone has a molecular weight of 378.36 g/mol, XLogP of 3.71, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-1H-pyrrolo[2,3-b]pyridin-3-yl)-[5-(2-fluorophenoxy)-3-methoxy-2-pyridinyl]methanone is sourced from PubChem (CID 155366934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).