N-(2-methoxy-5-morpholin-4-ylphenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-amine

C22H22N4O2S — CID 90226323

IUPACN-(2-methoxy-5-morpholin-4-ylphenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-amine
SMILESCOc1ccc(N2CCOCC2)cc1Nc1c[nH]c2nccc(-c3ccsc3)c12
InChIInChI=1S/C22H22N4O2S/c1-27-20-3-2-16(26-7-9-28-10-8-26)12-18(20)25-19-13-24-22-21(19)17(4-6-23-22)15-5-11-29-14-15/h2-6,11-14,25H,7-10H2,1H3,(H,23,24)
InChIKeyVVNJTNGOXKNPPC-UHFFFAOYSA-N
MW406.51 g/mol
LogP4.88
Rot. Bonds5

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

N-(2-methoxy-5-morpholin-4-ylphenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-amine (PubChem CID 90226323) has the molecular formula C22H22N4O2S and a molecular weight of 406.51 g/mol. Its IUPAC name is N-(2-methoxy-5-morpholin-4-ylphenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-amine.

Molecular Properties

Compound NameN-(2-methoxy-5-morpholin-4-ylphenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-amine
PubChem CID90226323
Molecular FormulaC22H22N4O2S
Molecular Weight406.51 g/mol
Exact Mass406.15
IUPAC NameN-(2-methoxy-5-morpholin-4-ylphenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-amine
SMILESCOc1ccc(N2CCOCC2)cc1Nc1c[nH]c2nccc(-c3ccsc3)c12
InChIInChI=1S/C22H22N4O2S/c1-27-20-3-2-16(26-7-9-28-10-8-26)12-18(20)25-19-13-24-22-21(19)17(4-6-23-22)15-5-11-29-14-15/h2-6,11-14,25H,7-10H2,1H3,(H,23,24)
InChIKeyVVNJTNGOXKNPPC-UHFFFAOYSA-N
XLogP4.88
TPSA62.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.51
LogP ≤ 54.88
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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Related Compounds

4-[4-fluoro-3-methoxy-5-(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]morpholine
CID 90226221
5-chloro-N-(2-methoxy-5-morpholin-4-ylphenyl)pyrimidin-2-amine
CID 141139716
(3,5-dimethoxyphenyl)-[4-(4-morpholin-4-ylanilino)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone
CID 58087558
N-(2-methoxy-5-morpholin-4-ylphenyl)pyridine-4-carboxamide
CID 84508322
4-[4-fluoro-2-methoxy-3-(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]morpholine
CID 90226220
3-(1-methylsulfonylpiperidin-4-yl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine
CID 118967681
N-(2-methoxy-5-methylphenyl)-5-morpholin-4-yl-1,3-benzothiazol-2-amine
CID 89255837
3-(3-chlorophenyl)-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridine;4-[3-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-2H-pyrazolo[3,4-b]pyridin-4-yl]-2-methyl-1,3-thiazole;3-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridine;4-[2-methoxy-5-[4-(2-methyl-1,3-thiazol-4-yl)-2H-pyrazolo[3,4-b]pyridin-3-yl]phenyl]morpholine;4-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-4-yl]-2-methyl-1,3-thiazole;4-[2-methoxy-5-(4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)phenyl]morpholine;3-[5-(4-methylpiperazin-1-yl)-2-(trifluoromethoxy)phenyl]-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridine
CID 160959813
N-[5-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-methoxyphenyl]-3-methyl-4-thiophen-3-ylbenzenesulfonamide
CID 69197149
6-(3-aminosulfanyl-4-methoxyphenyl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one
CID 143841233
2-(2-methoxy-5-morpholin-4-ylanilino)-2-sulfanylideneacetamide
CID 11254914
2-ethyl-N-(2-methoxy-5-morpholin-4-ylphenyl)butanamide
CID 110359745

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-morpholin-4-ylphenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-amine?
The IUPAC name of N-(2-methoxy-5-morpholin-4-ylphenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-amine (CID 90226323) is N-(2-methoxy-5-morpholin-4-ylphenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-amine.
What is the SMILES notation for N-(2-methoxy-5-morpholin-4-ylphenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-amine?
The canonical SMILES for N-(2-methoxy-5-morpholin-4-ylphenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-amine is COc1ccc(N2CCOCC2)cc1Nc1c[nH]c2nccc(-c3ccsc3)c12.
What is the InChIKey of N-(2-methoxy-5-morpholin-4-ylphenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-amine?
The InChIKey is VVNJTNGOXKNPPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2S/c1-27-20-3-2-16(26-7-9-28-10-8-26)12-18(20)25-19-13-24-22-21(19)17(4-6-23-22)15-5-11-29-14-15/h2-6,11-14,25H,7-10H2,1H3,(H,23,24).
What are the key properties of N-(2-methoxy-5-morpholin-4-ylphenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-amine?
N-(2-methoxy-5-morpholin-4-ylphenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-amine has a molecular weight of 406.51 g/mol, XLogP of 4.88, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-morpholin-4-ylphenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-amine is sourced from PubChem (CID 90226323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).