2-[4-[3-(7-fluoro-6-methoxyquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperazin-1-yl]-5-methyl-1,3,4-thiadiazole

C23H21FN8OS — CID 142464176

IUPAC2-[4-[3-(7-fluoro-6-methoxyquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperazin-1-yl]-5-methyl-1,3,4-thiadiazole
SMILESCOc1cc2c(-c3cnn4cc(N5CCN(c6nnc(C)s6)CC5)cnc34)ccnc2cc1F
InChIInChI=1S/C23H21FN8OS/c1-14-28-29-23(34-14)31-7-5-30(6-8-31)15-11-26-22-18(12-27-32(22)13-15)16-3-4-25-20-10-19(24)21(33-2)9-17(16)20/h3-4,9-13H,5-8H2,1-2H3
InChIKeyMDWFDOVPOSUNCI-UHFFFAOYSA-N
MW476.54 g/mol
LogP3.58
Rot. Bonds4

About 2-[4-[3-(7-fluoro-6-methoxyquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperazin-1-yl]-5-methyl-1,3,4-thiadiazole

2-[4-[3-(7-fluoro-6-methoxyquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperazin-1-yl]-5-methyl-1,3,4-thiadiazole (PubChem CID 142464176) has the molecular formula C23H21FN8OS and a molecular weight of 476.54 g/mol. Its IUPAC name is 2-[4-[3-(7-fluoro-6-methoxyquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperazin-1-yl]-5-methyl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-[4-[3-(7-fluoro-6-methoxyquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperazin-1-yl]-5-methyl-1,3,4-thiadiazole
PubChem CID142464176
Molecular FormulaC23H21FN8OS
Molecular Weight476.54 g/mol
Exact Mass476.15
IUPAC Name2-[4-[3-(7-fluoro-6-methoxyquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperazin-1-yl]-5-methyl-1,3,4-thiadiazole
SMILESCOc1cc2c(-c3cnn4cc(N5CCN(c6nnc(C)s6)CC5)cnc34)ccnc2cc1F
InChIInChI=1S/C23H21FN8OS/c1-14-28-29-23(34-14)31-7-5-30(6-8-31)15-11-26-22-18(12-27-32(22)13-15)16-3-4-25-20-10-19(24)21(33-2)9-17(16)20/h3-4,9-13H,5-8H2,1-2H3
InChIKeyMDWFDOVPOSUNCI-UHFFFAOYSA-N
XLogP3.58
TPSA84.57 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.54
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(7-fluoro-6-methoxyquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperazin-1-yl]-5-methyl-1,3,4-thiadiazole?
The IUPAC name of 2-[4-[3-(7-fluoro-6-methoxyquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperazin-1-yl]-5-methyl-1,3,4-thiadiazole (CID 142464176) is 2-[4-[3-(7-fluoro-6-methoxyquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperazin-1-yl]-5-methyl-1,3,4-thiadiazole.
What is the SMILES notation for 2-[4-[3-(7-fluoro-6-methoxyquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperazin-1-yl]-5-methyl-1,3,4-thiadiazole?
The canonical SMILES for 2-[4-[3-(7-fluoro-6-methoxyquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperazin-1-yl]-5-methyl-1,3,4-thiadiazole is COc1cc2c(-c3cnn4cc(N5CCN(c6nnc(C)s6)CC5)cnc34)ccnc2cc1F.
What is the InChIKey of 2-[4-[3-(7-fluoro-6-methoxyquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperazin-1-yl]-5-methyl-1,3,4-thiadiazole?
The InChIKey is MDWFDOVPOSUNCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN8OS/c1-14-28-29-23(34-14)31-7-5-30(6-8-31)15-11-26-22-18(12-27-32(22)13-15)16-3-4-25-20-10-19(24)21(33-2)9-17(16)20/h3-4,9-13H,5-8H2,1-2H3.
What are the key properties of 2-[4-[3-(7-fluoro-6-methoxyquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperazin-1-yl]-5-methyl-1,3,4-thiadiazole?
2-[4-[3-(7-fluoro-6-methoxyquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperazin-1-yl]-5-methyl-1,3,4-thiadiazole has a molecular weight of 476.54 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(7-fluoro-6-methoxyquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperazin-1-yl]-5-methyl-1,3,4-thiadiazole is sourced from PubChem (CID 142464176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).