[3-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1-methylindazol-6-yl]-piperidin-1-ylmethanone

C21H20FN5O — CID 58522771

IUPAC[3-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1-methylindazol-6-yl]-piperidin-1-ylmethanone
SMILESCn1nc(-c2cnc3ccc(F)cn23)c2ccc(C(=O)N3CCCCC3)cc21
InChIInChI=1S/C21H20FN5O/c1-25-17-11-14(21(28)26-9-3-2-4-10-26)5-7-16(17)20(24-25)18-12-23-19-8-6-15(22)13-27(18)19/h5-8,11-13H,2-4,9-10H2,1H3
InChIKeyDTDUFYWLMYKZGS-UHFFFAOYSA-N
MW377.42 g/mol
LogP3.65
Rot. Bonds2

About [3-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1-methylindazol-6-yl]-piperidin-1-ylmethanone

[3-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1-methylindazol-6-yl]-piperidin-1-ylmethanone (PubChem CID 58522771) has the molecular formula C21H20FN5O and a molecular weight of 377.42 g/mol. Its IUPAC name is [3-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1-methylindazol-6-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[3-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1-methylindazol-6-yl]-piperidin-1-ylmethanone
PubChem CID58522771
Molecular FormulaC21H20FN5O
Molecular Weight377.42 g/mol
Exact Mass377.17
IUPAC Name[3-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1-methylindazol-6-yl]-piperidin-1-ylmethanone
SMILESCn1nc(-c2cnc3ccc(F)cn23)c2ccc(C(=O)N3CCCCC3)cc21
InChIInChI=1S/C21H20FN5O/c1-25-17-11-14(21(28)26-9-3-2-4-10-26)5-7-16(17)20(24-25)18-12-23-19-8-6-15(22)13-27(18)19/h5-8,11-13H,2-4,9-10H2,1H3
InChIKeyDTDUFYWLMYKZGS-UHFFFAOYSA-N
XLogP3.65
TPSA55.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1-methylindazol-6-yl]-piperidin-1-ylmethanone?
The IUPAC name of [3-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1-methylindazol-6-yl]-piperidin-1-ylmethanone (CID 58522771) is [3-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1-methylindazol-6-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [3-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1-methylindazol-6-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [3-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1-methylindazol-6-yl]-piperidin-1-ylmethanone is Cn1nc(-c2cnc3ccc(F)cn23)c2ccc(C(=O)N3CCCCC3)cc21.
What is the InChIKey of [3-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1-methylindazol-6-yl]-piperidin-1-ylmethanone?
The InChIKey is DTDUFYWLMYKZGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN5O/c1-25-17-11-14(21(28)26-9-3-2-4-10-26)5-7-16(17)20(24-25)18-12-23-19-8-6-15(22)13-27(18)19/h5-8,11-13H,2-4,9-10H2,1H3.
What are the key properties of [3-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1-methylindazol-6-yl]-piperidin-1-ylmethanone?
[3-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1-methylindazol-6-yl]-piperidin-1-ylmethanone has a molecular weight of 377.42 g/mol, XLogP of 3.65, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1-methylindazol-6-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 58522771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).