6-[[8-fluoro-6-(1-piperidin-4-ylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]methyl]quinoline

C25H23FN6 — CID 71667252

IUPAC6-[[8-fluoro-6-(1-piperidin-4-ylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]methyl]quinoline
SMILESFc1cc(-c2cnn(C3CCNCC3)c2)cn2c(Cc3ccc4ncccc4c3)cnc12
InChIInChI=1S/C25H23FN6/c26-23-12-19(20-13-30-32(16-20)21-5-8-27-9-6-21)15-31-22(14-29-25(23)31)11-17-3-4-24-18(10-17)2-1-7-28-24/h1-4,7,10,12-16,21,27H,5-6,8-9,11H2
InChIKeyZCGTUXSMTDHPIW-UHFFFAOYSA-N
MW426.50 g/mol
LogP4.40
Rot. Bonds4

About 6-[[8-fluoro-6-(1-piperidin-4-ylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]methyl]quinoline

6-[[8-fluoro-6-(1-piperidin-4-ylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]methyl]quinoline (PubChem CID 71667252) has the molecular formula C25H23FN6 and a molecular weight of 426.50 g/mol. Its IUPAC name is 6-[[8-fluoro-6-(1-piperidin-4-ylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]methyl]quinoline.

Molecular Properties

Compound Name6-[[8-fluoro-6-(1-piperidin-4-ylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]methyl]quinoline
PubChem CID71667252
Molecular FormulaC25H23FN6
Molecular Weight426.50 g/mol
Exact Mass426.20
IUPAC Name6-[[8-fluoro-6-(1-piperidin-4-ylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]methyl]quinoline
SMILESFc1cc(-c2cnn(C3CCNCC3)c2)cn2c(Cc3ccc4ncccc4c3)cnc12
InChIInChI=1S/C25H23FN6/c26-23-12-19(20-13-30-32(16-20)21-5-8-27-9-6-21)15-31-22(14-29-25(23)31)11-17-3-4-24-18(10-17)2-1-7-28-24/h1-4,7,10,12-16,21,27H,5-6,8-9,11H2
InChIKeyZCGTUXSMTDHPIW-UHFFFAOYSA-N
XLogP4.40
TPSA60.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.50
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[[8-fluoro-6-(1-piperidin-4-ylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]methyl]quinoline?
The IUPAC name of 6-[[8-fluoro-6-(1-piperidin-4-ylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]methyl]quinoline (CID 71667252) is 6-[[8-fluoro-6-(1-piperidin-4-ylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]methyl]quinoline.
What is the SMILES notation for 6-[[8-fluoro-6-(1-piperidin-4-ylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]methyl]quinoline?
The canonical SMILES for 6-[[8-fluoro-6-(1-piperidin-4-ylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]methyl]quinoline is Fc1cc(-c2cnn(C3CCNCC3)c2)cn2c(Cc3ccc4ncccc4c3)cnc12.
What is the InChIKey of 6-[[8-fluoro-6-(1-piperidin-4-ylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]methyl]quinoline?
The InChIKey is ZCGTUXSMTDHPIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN6/c26-23-12-19(20-13-30-32(16-20)21-5-8-27-9-6-21)15-31-22(14-29-25(23)31)11-17-3-4-24-18(10-17)2-1-7-28-24/h1-4,7,10,12-16,21,27H,5-6,8-9,11H2.
What are the key properties of 6-[[8-fluoro-6-(1-piperidin-4-ylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]methyl]quinoline?
6-[[8-fluoro-6-(1-piperidin-4-ylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]methyl]quinoline has a molecular weight of 426.50 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[8-fluoro-6-(1-piperidin-4-ylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]methyl]quinoline is sourced from PubChem (CID 71667252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).