N-(4-fluoro-2-methoxyphenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-amine

C18H14FN3OS — CID 90226156

IUPACN-(4-fluoro-2-methoxyphenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-amine
SMILESCOc1cc(F)ccc1Nc1c[nH]c2nccc(-c3ccsc3)c12
InChIInChI=1S/C18H14FN3OS/c1-23-16-8-12(19)2-3-14(16)22-15-9-21-18-17(15)13(4-6-20-18)11-5-7-24-10-11/h2-10,22H,1H3,(H,20,21)
InChIKeyRMTQRPHLSDZXAN-UHFFFAOYSA-N
MW339.40 g/mol
LogP5.18
Rot. Bonds4

About N-(4-fluoro-2-methoxyphenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-amine

N-(4-fluoro-2-methoxyphenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-amine (PubChem CID 90226156) has the molecular formula C18H14FN3OS and a molecular weight of 339.40 g/mol. Its IUPAC name is N-(4-fluoro-2-methoxyphenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-amine.

Molecular Properties

Compound NameN-(4-fluoro-2-methoxyphenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-amine
PubChem CID90226156
Molecular FormulaC18H14FN3OS
Molecular Weight339.40 g/mol
Exact Mass339.08
IUPAC NameN-(4-fluoro-2-methoxyphenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-amine
SMILESCOc1cc(F)ccc1Nc1c[nH]c2nccc(-c3ccsc3)c12
InChIInChI=1S/C18H14FN3OS/c1-23-16-8-12(19)2-3-14(16)22-15-9-21-18-17(15)13(4-6-20-18)11-5-7-24-10-11/h2-10,22H,1H3,(H,20,21)
InChIKeyRMTQRPHLSDZXAN-UHFFFAOYSA-N
XLogP5.18
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.40
LogP ≤ 55.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-2-methoxyphenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-amine?
The IUPAC name of N-(4-fluoro-2-methoxyphenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-amine (CID 90226156) is N-(4-fluoro-2-methoxyphenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-amine.
What is the SMILES notation for N-(4-fluoro-2-methoxyphenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-amine?
The canonical SMILES for N-(4-fluoro-2-methoxyphenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-amine is COc1cc(F)ccc1Nc1c[nH]c2nccc(-c3ccsc3)c12.
What is the InChIKey of N-(4-fluoro-2-methoxyphenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-amine?
The InChIKey is RMTQRPHLSDZXAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN3OS/c1-23-16-8-12(19)2-3-14(16)22-15-9-21-18-17(15)13(4-6-20-18)11-5-7-24-10-11/h2-10,22H,1H3,(H,20,21).
What are the key properties of N-(4-fluoro-2-methoxyphenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-amine?
N-(4-fluoro-2-methoxyphenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-amine has a molecular weight of 339.40 g/mol, XLogP of 5.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-2-methoxyphenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-amine is sourced from PubChem (CID 90226156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).