6-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4-methoxy-3-pyrrolidin-1-ylquinoline

C24H22FN7OS — CID 137396002

IUPAC6-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4-methoxy-3-pyrrolidin-1-ylquinoline
SMILESCOc1c(N2CCCC2)cnc2ccc(Sc3nnc4c(F)cc(-c5cnn(C)c5)cn34)cc12
InChIInChI=1S/C24H22FN7OS/c1-30-13-16(11-27-30)15-9-19(25)23-28-29-24(32(23)14-15)34-17-5-6-20-18(10-17)22(33-2)21(12-26-20)31-7-3-4-8-31/h5-6,9-14H,3-4,7-8H2,1-2H3
InChIKeyCXMHRXAHFRUKNA-UHFFFAOYSA-N
MW475.55 g/mol
LogP4.58
Rot. Bonds5

About 6-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4-methoxy-3-pyrrolidin-1-ylquinoline

6-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4-methoxy-3-pyrrolidin-1-ylquinoline (PubChem CID 137396002) has the molecular formula C24H22FN7OS and a molecular weight of 475.55 g/mol. Its IUPAC name is 6-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4-methoxy-3-pyrrolidin-1-ylquinoline.

Molecular Properties

Compound Name6-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4-methoxy-3-pyrrolidin-1-ylquinoline
PubChem CID137396002
Molecular FormulaC24H22FN7OS
Molecular Weight475.55 g/mol
Exact Mass475.16
IUPAC Name6-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4-methoxy-3-pyrrolidin-1-ylquinoline
SMILESCOc1c(N2CCCC2)cnc2ccc(Sc3nnc4c(F)cc(-c5cnn(C)c5)cn34)cc12
InChIInChI=1S/C24H22FN7OS/c1-30-13-16(11-27-30)15-9-19(25)23-28-29-24(32(23)14-15)34-17-5-6-20-18(10-17)22(33-2)21(12-26-20)31-7-3-4-8-31/h5-6,9-14H,3-4,7-8H2,1-2H3
InChIKeyCXMHRXAHFRUKNA-UHFFFAOYSA-N
XLogP4.58
TPSA73.37 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.55
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 6-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4-methoxy-3-pyrrolidin-1-ylquinoline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4-methoxy-3-pyrrolidin-1-ylquinoline?
The IUPAC name of 6-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4-methoxy-3-pyrrolidin-1-ylquinoline (CID 137396002) is 6-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4-methoxy-3-pyrrolidin-1-ylquinoline.
What is the SMILES notation for 6-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4-methoxy-3-pyrrolidin-1-ylquinoline?
The canonical SMILES for 6-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4-methoxy-3-pyrrolidin-1-ylquinoline is COc1c(N2CCCC2)cnc2ccc(Sc3nnc4c(F)cc(-c5cnn(C)c5)cn34)cc12.
What is the InChIKey of 6-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4-methoxy-3-pyrrolidin-1-ylquinoline?
The InChIKey is CXMHRXAHFRUKNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN7OS/c1-30-13-16(11-27-30)15-9-19(25)23-28-29-24(32(23)14-15)34-17-5-6-20-18(10-17)22(33-2)21(12-26-20)31-7-3-4-8-31/h5-6,9-14H,3-4,7-8H2,1-2H3.
What are the key properties of 6-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4-methoxy-3-pyrrolidin-1-ylquinoline?
6-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4-methoxy-3-pyrrolidin-1-ylquinoline has a molecular weight of 475.55 g/mol, XLogP of 4.58, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4-methoxy-3-pyrrolidin-1-ylquinoline is sourced from PubChem (CID 137396002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).