2-(5-fluoro-3-pyridinyl)-4-methyl-5-(1-methyl-7-pyridin-2-ylpyrrolo[2,3-c]pyridin-5-yl)-1,3-thiazole

C22H16FN5S — CID 123582975

IUPAC2-(5-fluoro-3-pyridinyl)-4-methyl-5-(1-methyl-7-pyridin-2-ylpyrrolo[2,3-c]pyridin-5-yl)-1,3-thiazole
SMILESCc1nc(-c2cncc(F)c2)sc1-c1cc2ccn(C)c2c(-c2ccccn2)n1
InChIInChI=1S/C22H16FN5S/c1-13-21(29-22(26-13)15-9-16(23)12-24-11-15)18-10-14-6-8-28(2)20(14)19(27-18)17-5-3-4-7-25-17/h3-12H,1-2H3
InChIKeyYEVZYMZNVRXINH-UHFFFAOYSA-N
MW401.47 g/mol
LogP5.27
Rot. Bonds3

About 2-(5-fluoro-3-pyridinyl)-4-methyl-5-(1-methyl-7-pyridin-2-ylpyrrolo[2,3-c]pyridin-5-yl)-1,3-thiazole

2-(5-fluoro-3-pyridinyl)-4-methyl-5-(1-methyl-7-pyridin-2-ylpyrrolo[2,3-c]pyridin-5-yl)-1,3-thiazole (PubChem CID 123582975) has the molecular formula C22H16FN5S and a molecular weight of 401.47 g/mol. Its IUPAC name is 2-(5-fluoro-3-pyridinyl)-4-methyl-5-(1-methyl-7-pyridin-2-ylpyrrolo[2,3-c]pyridin-5-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-(5-fluoro-3-pyridinyl)-4-methyl-5-(1-methyl-7-pyridin-2-ylpyrrolo[2,3-c]pyridin-5-yl)-1,3-thiazole
PubChem CID123582975
Molecular FormulaC22H16FN5S
Molecular Weight401.47 g/mol
Exact Mass401.11
IUPAC Name2-(5-fluoro-3-pyridinyl)-4-methyl-5-(1-methyl-7-pyridin-2-ylpyrrolo[2,3-c]pyridin-5-yl)-1,3-thiazole
SMILESCc1nc(-c2cncc(F)c2)sc1-c1cc2ccn(C)c2c(-c2ccccn2)n1
InChIInChI=1S/C22H16FN5S/c1-13-21(29-22(26-13)15-9-16(23)12-24-11-15)18-10-14-6-8-28(2)20(14)19(27-18)17-5-3-4-7-25-17/h3-12H,1-2H3
InChIKeyYEVZYMZNVRXINH-UHFFFAOYSA-N
XLogP5.27
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.47
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-3-pyridinyl)-4-methyl-5-(1-methyl-7-pyridin-2-ylpyrrolo[2,3-c]pyridin-5-yl)-1,3-thiazole?
The IUPAC name of 2-(5-fluoro-3-pyridinyl)-4-methyl-5-(1-methyl-7-pyridin-2-ylpyrrolo[2,3-c]pyridin-5-yl)-1,3-thiazole (CID 123582975) is 2-(5-fluoro-3-pyridinyl)-4-methyl-5-(1-methyl-7-pyridin-2-ylpyrrolo[2,3-c]pyridin-5-yl)-1,3-thiazole.
What is the SMILES notation for 2-(5-fluoro-3-pyridinyl)-4-methyl-5-(1-methyl-7-pyridin-2-ylpyrrolo[2,3-c]pyridin-5-yl)-1,3-thiazole?
The canonical SMILES for 2-(5-fluoro-3-pyridinyl)-4-methyl-5-(1-methyl-7-pyridin-2-ylpyrrolo[2,3-c]pyridin-5-yl)-1,3-thiazole is Cc1nc(-c2cncc(F)c2)sc1-c1cc2ccn(C)c2c(-c2ccccn2)n1.
What is the InChIKey of 2-(5-fluoro-3-pyridinyl)-4-methyl-5-(1-methyl-7-pyridin-2-ylpyrrolo[2,3-c]pyridin-5-yl)-1,3-thiazole?
The InChIKey is YEVZYMZNVRXINH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FN5S/c1-13-21(29-22(26-13)15-9-16(23)12-24-11-15)18-10-14-6-8-28(2)20(14)19(27-18)17-5-3-4-7-25-17/h3-12H,1-2H3.
What are the key properties of 2-(5-fluoro-3-pyridinyl)-4-methyl-5-(1-methyl-7-pyridin-2-ylpyrrolo[2,3-c]pyridin-5-yl)-1,3-thiazole?
2-(5-fluoro-3-pyridinyl)-4-methyl-5-(1-methyl-7-pyridin-2-ylpyrrolo[2,3-c]pyridin-5-yl)-1,3-thiazole has a molecular weight of 401.47 g/mol, XLogP of 5.27, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-3-pyridinyl)-4-methyl-5-(1-methyl-7-pyridin-2-ylpyrrolo[2,3-c]pyridin-5-yl)-1,3-thiazole is sourced from PubChem (CID 123582975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).