6-fluoro-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1-(1,3-thiazol-2-ylmethyl)indole-2-carboxamide

C20H14FN5OS — CID 66846016

IUPAC6-fluoro-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1-(1,3-thiazol-2-ylmethyl)indole-2-carboxamide
SMILESO=C(Nc1cnc2[nH]ccc2c1)c1cc2ccc(F)cc2n1Cc1nccs1
InChIInChI=1S/C20H14FN5OS/c21-14-2-1-12-8-17(26(16(12)9-14)11-18-22-5-6-28-18)20(27)25-15-7-13-3-4-23-19(13)24-10-15/h1-10H,11H2,(H,23,24)(H,25,27)
InChIKeyFURKZJDRQXBWGS-UHFFFAOYSA-N
MW391.43 g/mol
LogP4.41
Rot. Bonds4

About 6-fluoro-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1-(1,3-thiazol-2-ylmethyl)indole-2-carboxamide

6-fluoro-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1-(1,3-thiazol-2-ylmethyl)indole-2-carboxamide (PubChem CID 66846016) has the molecular formula C20H14FN5OS and a molecular weight of 391.43 g/mol. Its IUPAC name is 6-fluoro-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1-(1,3-thiazol-2-ylmethyl)indole-2-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1-(1,3-thiazol-2-ylmethyl)indole-2-carboxamide
PubChem CID66846016
Molecular FormulaC20H14FN5OS
Molecular Weight391.43 g/mol
Exact Mass391.09
IUPAC Name6-fluoro-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1-(1,3-thiazol-2-ylmethyl)indole-2-carboxamide
SMILESO=C(Nc1cnc2[nH]ccc2c1)c1cc2ccc(F)cc2n1Cc1nccs1
InChIInChI=1S/C20H14FN5OS/c21-14-2-1-12-8-17(26(16(12)9-14)11-18-22-5-6-28-18)20(27)25-15-7-13-3-4-23-19(13)24-10-15/h1-10H,11H2,(H,23,24)(H,25,27)
InChIKeyFURKZJDRQXBWGS-UHFFFAOYSA-N
XLogP4.41
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1-(1,3-thiazol-2-ylmethyl)indole-2-carboxamide?
The IUPAC name of 6-fluoro-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1-(1,3-thiazol-2-ylmethyl)indole-2-carboxamide (CID 66846016) is 6-fluoro-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1-(1,3-thiazol-2-ylmethyl)indole-2-carboxamide.
What is the SMILES notation for 6-fluoro-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1-(1,3-thiazol-2-ylmethyl)indole-2-carboxamide?
The canonical SMILES for 6-fluoro-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1-(1,3-thiazol-2-ylmethyl)indole-2-carboxamide is O=C(Nc1cnc2[nH]ccc2c1)c1cc2ccc(F)cc2n1Cc1nccs1.
What is the InChIKey of 6-fluoro-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1-(1,3-thiazol-2-ylmethyl)indole-2-carboxamide?
The InChIKey is FURKZJDRQXBWGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FN5OS/c21-14-2-1-12-8-17(26(16(12)9-14)11-18-22-5-6-28-18)20(27)25-15-7-13-3-4-23-19(13)24-10-15/h1-10H,11H2,(H,23,24)(H,25,27).
What are the key properties of 6-fluoro-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1-(1,3-thiazol-2-ylmethyl)indole-2-carboxamide?
6-fluoro-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1-(1,3-thiazol-2-ylmethyl)indole-2-carboxamide has a molecular weight of 391.43 g/mol, XLogP of 4.41, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1-(1,3-thiazol-2-ylmethyl)indole-2-carboxamide is sourced from PubChem (CID 66846016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).