2-(1-methyl-4-pyrimidin-2-ylpyrrolo[3,2-c]pyridin-6-yl)-5-pyridin-3-yl-1,3,4-thiadiazole

C19H13N7S — CID 123918244

IUPAC2-(1-methyl-4-pyrimidin-2-ylpyrrolo[3,2-c]pyridin-6-yl)-5-pyridin-3-yl-1,3,4-thiadiazole
SMILESCn1ccc2c(-c3ncccn3)nc(-c3nnc(-c4cccnc4)s3)cc21
InChIInChI=1S/C19H13N7S/c1-26-9-5-13-15(26)10-14(23-16(13)17-21-7-3-8-22-17)19-25-24-18(27-19)12-4-2-6-20-11-12/h2-11H,1H3
InChIKeyIKZQOZVJJIIPST-UHFFFAOYSA-N
MW371.43 g/mol
LogP3.61
Rot. Bonds3

About 2-(1-methyl-4-pyrimidin-2-ylpyrrolo[3,2-c]pyridin-6-yl)-5-pyridin-3-yl-1,3,4-thiadiazole

2-(1-methyl-4-pyrimidin-2-ylpyrrolo[3,2-c]pyridin-6-yl)-5-pyridin-3-yl-1,3,4-thiadiazole (PubChem CID 123918244) has the molecular formula C19H13N7S and a molecular weight of 371.43 g/mol. Its IUPAC name is 2-(1-methyl-4-pyrimidin-2-ylpyrrolo[3,2-c]pyridin-6-yl)-5-pyridin-3-yl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(1-methyl-4-pyrimidin-2-ylpyrrolo[3,2-c]pyridin-6-yl)-5-pyridin-3-yl-1,3,4-thiadiazole
PubChem CID123918244
Molecular FormulaC19H13N7S
Molecular Weight371.43 g/mol
Exact Mass371.10
IUPAC Name2-(1-methyl-4-pyrimidin-2-ylpyrrolo[3,2-c]pyridin-6-yl)-5-pyridin-3-yl-1,3,4-thiadiazole
SMILESCn1ccc2c(-c3ncccn3)nc(-c3nnc(-c4cccnc4)s3)cc21
InChIInChI=1S/C19H13N7S/c1-26-9-5-13-15(26)10-14(23-16(13)17-21-7-3-8-22-17)19-25-24-18(27-19)12-4-2-6-20-11-12/h2-11H,1H3
InChIKeyIKZQOZVJJIIPST-UHFFFAOYSA-N
XLogP3.61
TPSA82.27 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.43
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

4-pyridin-2-yl-6-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)thieno[3,2-c]pyridine
CID 123696099
4-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)-6-pyrimidin-2-ylfuro[3,2-c]pyridine
CID 123528594
4-chloro-5-(1-methyl-4-pyridin-2-ylpyrrolo[3,2-c]pyridin-6-yl)-2-pyrimidin-5-yl-1,3-thiazole
CID 123903690
2-pyridin-3-yl-5-quinolin-6-yl-1,3,4-thiadiazole
CID 167901241
9-methyl-13-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)-8λ6-thia-3,5,9,14-tetrazatricyclo[8.4.0.02,7]tetradeca-1(10),2,4,6,11,13-hexaene 8,8-dioxide
CID 75202679
4-chloro-5-(1-methyl-5-pyridin-2-ylpyrrolo[2,3-c]pyridin-7-yl)-2-pyridin-3-yl-1,3-thiazole
CID 123730233
2-(9-phenylcarbazol-3-yl)-5-[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-3-yl]-1,3,4-thiadiazole
CID 122593968
7-(1,3-dioxan-2-yl)-5-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)thieno[2,3-c]pyridine
CID 123823765
1-methyl-4-(4-methyl-2-pyrimidin-5-yl-1,3-thiazol-5-yl)pyrrolo[3,2-c]pyridine-6-carboxamide
CID 123364686
5-(1-methylpyrazolo[5,4-b]pyridin-6-yl)-2-pyridin-3-yl-1,3-thiazole
CID 123365126
5-chloro-2-pyridin-3-yl-1,3-thiazole
CID 117259093
6-(3-hydroxyphenyl)-1-methyl-N-(pyridin-3-ylmethyl)pyrrolo[3,2-c]pyridine-4-carboxamide
CID 134806937

Frequently Asked Questions

What is the IUPAC name of 2-(1-methyl-4-pyrimidin-2-ylpyrrolo[3,2-c]pyridin-6-yl)-5-pyridin-3-yl-1,3,4-thiadiazole?
The IUPAC name of 2-(1-methyl-4-pyrimidin-2-ylpyrrolo[3,2-c]pyridin-6-yl)-5-pyridin-3-yl-1,3,4-thiadiazole (CID 123918244) is 2-(1-methyl-4-pyrimidin-2-ylpyrrolo[3,2-c]pyridin-6-yl)-5-pyridin-3-yl-1,3,4-thiadiazole.
What is the SMILES notation for 2-(1-methyl-4-pyrimidin-2-ylpyrrolo[3,2-c]pyridin-6-yl)-5-pyridin-3-yl-1,3,4-thiadiazole?
The canonical SMILES for 2-(1-methyl-4-pyrimidin-2-ylpyrrolo[3,2-c]pyridin-6-yl)-5-pyridin-3-yl-1,3,4-thiadiazole is Cn1ccc2c(-c3ncccn3)nc(-c3nnc(-c4cccnc4)s3)cc21.
What is the InChIKey of 2-(1-methyl-4-pyrimidin-2-ylpyrrolo[3,2-c]pyridin-6-yl)-5-pyridin-3-yl-1,3,4-thiadiazole?
The InChIKey is IKZQOZVJJIIPST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N7S/c1-26-9-5-13-15(26)10-14(23-16(13)17-21-7-3-8-22-17)19-25-24-18(27-19)12-4-2-6-20-11-12/h2-11H,1H3.
What are the key properties of 2-(1-methyl-4-pyrimidin-2-ylpyrrolo[3,2-c]pyridin-6-yl)-5-pyridin-3-yl-1,3,4-thiadiazole?
2-(1-methyl-4-pyrimidin-2-ylpyrrolo[3,2-c]pyridin-6-yl)-5-pyridin-3-yl-1,3,4-thiadiazole has a molecular weight of 371.43 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-4-pyrimidin-2-ylpyrrolo[3,2-c]pyridin-6-yl)-5-pyridin-3-yl-1,3,4-thiadiazole is sourced from PubChem (CID 123918244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).