2-fluoro-4-[6-methyl-7-(1-piperidin-4-ylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide

C23H23FN6O — CID 150247772

IUPAC2-fluoro-4-[6-methyl-7-(1-piperidin-4-ylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide
SMILESCc1cn2c(-c3ccc(C(N)=O)c(F)c3)cnc2cc1-c1cnn(C2CCNCC2)c1
InChIInChI=1S/C23H23FN6O/c1-14-12-29-21(15-2-3-18(23(25)31)20(24)8-15)11-27-22(29)9-19(14)16-10-28-30(13-16)17-4-6-26-7-5-17/h2-3,8-13,17,26H,4-7H2,1H3,(H2,25,31)
InChIKeyFYWQQHKKKZHBIX-UHFFFAOYSA-N
MW418.48 g/mol
LogP3.34
Rot. Bonds4

About 2-fluoro-4-[6-methyl-7-(1-piperidin-4-ylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide

2-fluoro-4-[6-methyl-7-(1-piperidin-4-ylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide (PubChem CID 150247772) has the molecular formula C23H23FN6O and a molecular weight of 418.48 g/mol. Its IUPAC name is 2-fluoro-4-[6-methyl-7-(1-piperidin-4-ylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide.

Molecular Properties

Compound Name2-fluoro-4-[6-methyl-7-(1-piperidin-4-ylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide
PubChem CID150247772
Molecular FormulaC23H23FN6O
Molecular Weight418.48 g/mol
Exact Mass418.19
IUPAC Name2-fluoro-4-[6-methyl-7-(1-piperidin-4-ylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide
SMILESCc1cn2c(-c3ccc(C(N)=O)c(F)c3)cnc2cc1-c1cnn(C2CCNCC2)c1
InChIInChI=1S/C23H23FN6O/c1-14-12-29-21(15-2-3-18(23(25)31)20(24)8-15)11-27-22(29)9-19(14)16-10-28-30(13-16)17-4-6-26-7-5-17/h2-3,8-13,17,26H,4-7H2,1H3,(H2,25,31)
InChIKeyFYWQQHKKKZHBIX-UHFFFAOYSA-N
XLogP3.34
TPSA90.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.48
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[6-methyl-7-(1-piperidin-4-ylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide?
The IUPAC name of 2-fluoro-4-[6-methyl-7-(1-piperidin-4-ylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide (CID 150247772) is 2-fluoro-4-[6-methyl-7-(1-piperidin-4-ylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide.
What is the SMILES notation for 2-fluoro-4-[6-methyl-7-(1-piperidin-4-ylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide?
The canonical SMILES for 2-fluoro-4-[6-methyl-7-(1-piperidin-4-ylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide is Cc1cn2c(-c3ccc(C(N)=O)c(F)c3)cnc2cc1-c1cnn(C2CCNCC2)c1.
What is the InChIKey of 2-fluoro-4-[6-methyl-7-(1-piperidin-4-ylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide?
The InChIKey is FYWQQHKKKZHBIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN6O/c1-14-12-29-21(15-2-3-18(23(25)31)20(24)8-15)11-27-22(29)9-19(14)16-10-28-30(13-16)17-4-6-26-7-5-17/h2-3,8-13,17,26H,4-7H2,1H3,(H2,25,31).
What are the key properties of 2-fluoro-4-[6-methyl-7-(1-piperidin-4-ylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide?
2-fluoro-4-[6-methyl-7-(1-piperidin-4-ylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide has a molecular weight of 418.48 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[6-methyl-7-(1-piperidin-4-ylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide is sourced from PubChem (CID 150247772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).