3-[4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-N-(1,3-thiazol-2-yl)propanamide

C19H16N4O2S — CID 142405268

IUPAC3-[4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-N-(1,3-thiazol-2-yl)propanamide
SMILESO=C(CCc1ccc(Oc2ccnc3[nH]ccc23)cc1)Nc1nccs1
InChIInChI=1S/C19H16N4O2S/c24-17(23-19-22-11-12-26-19)6-3-13-1-4-14(5-2-13)25-16-8-10-21-18-15(16)7-9-20-18/h1-2,4-5,7-12H,3,6H2,(H,20,21)(H,22,23,24)
InChIKeyURHSVNKONFDTBX-UHFFFAOYSA-N
MW364.43 g/mol
LogP4.38
Rot. Bonds6

About 3-[4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-N-(1,3-thiazol-2-yl)propanamide

3-[4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 142405268) has the molecular formula C19H16N4O2S and a molecular weight of 364.43 g/mol. Its IUPAC name is 3-[4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-[4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-N-(1,3-thiazol-2-yl)propanamide
PubChem CID142405268
Molecular FormulaC19H16N4O2S
Molecular Weight364.43 g/mol
Exact Mass364.10
IUPAC Name3-[4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-N-(1,3-thiazol-2-yl)propanamide
SMILESO=C(CCc1ccc(Oc2ccnc3[nH]ccc23)cc1)Nc1nccs1
InChIInChI=1S/C19H16N4O2S/c24-17(23-19-22-11-12-26-19)6-3-13-1-4-14(5-2-13)25-16-8-10-21-18-15(16)7-9-20-18/h1-2,4-5,7-12H,3,6H2,(H,20,21)(H,22,23,24)
InChIKeyURHSVNKONFDTBX-UHFFFAOYSA-N
XLogP4.38
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of 3-[4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-N-(1,3-thiazol-2-yl)propanamide (CID 142405268) is 3-[4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 3-[4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 3-[4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-N-(1,3-thiazol-2-yl)propanamide is O=C(CCc1ccc(Oc2ccnc3[nH]ccc23)cc1)Nc1nccs1.
What is the InChIKey of 3-[4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is URHSVNKONFDTBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2S/c24-17(23-19-22-11-12-26-19)6-3-13-1-4-14(5-2-13)25-16-8-10-21-18-15(16)7-9-20-18/h1-2,4-5,7-12H,3,6H2,(H,20,21)(H,22,23,24).
What are the key properties of 3-[4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-N-(1,3-thiazol-2-yl)propanamide?
3-[4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 364.43 g/mol, XLogP of 4.38, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 142405268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).