[4-[4-[(5-fluoro-2-pyridinyl)amino]-6-methyl-2-pyridinyl]piperidin-1-yl]-(8-methylimidazo[1,2-a]pyridin-2-yl)methanone

C25H25FN6O — CID 110093216

IUPAC[4-[4-[(5-fluoro-2-pyridinyl)amino]-6-methyl-2-pyridinyl]piperidin-1-yl]-(8-methylimidazo[1,2-a]pyridin-2-yl)methanone
SMILESCc1cc(Nc2ccc(F)cn2)cc(C2CCN(C(=O)c3cn4cccc(C)c4n3)CC2)n1
InChIInChI=1S/C25H25FN6O/c1-16-4-3-9-32-15-22(30-24(16)32)25(33)31-10-7-18(8-11-31)21-13-20(12-17(2)28-21)29-23-6-5-19(26)14-27-23/h3-6,9,12-15,18H,7-8,10-11H2,1-2H3,(H,27,28,29)
InChIKeyARFYAWUBAQBPME-UHFFFAOYSA-N
MW444.51 g/mol
LogP4.64
Rot. Bonds4

About [4-[4-[(5-fluoro-2-pyridinyl)amino]-6-methyl-2-pyridinyl]piperidin-1-yl]-(8-methylimidazo[1,2-a]pyridin-2-yl)methanone

[4-[4-[(5-fluoro-2-pyridinyl)amino]-6-methyl-2-pyridinyl]piperidin-1-yl]-(8-methylimidazo[1,2-a]pyridin-2-yl)methanone (PubChem CID 110093216) has the molecular formula C25H25FN6O and a molecular weight of 444.51 g/mol. Its IUPAC name is [4-[4-[(5-fluoro-2-pyridinyl)amino]-6-methyl-2-pyridinyl]piperidin-1-yl]-(8-methylimidazo[1,2-a]pyridin-2-yl)methanone.

Molecular Properties

Compound Name[4-[4-[(5-fluoro-2-pyridinyl)amino]-6-methyl-2-pyridinyl]piperidin-1-yl]-(8-methylimidazo[1,2-a]pyridin-2-yl)methanone
PubChem CID110093216
Molecular FormulaC25H25FN6O
Molecular Weight444.51 g/mol
Exact Mass444.21
IUPAC Name[4-[4-[(5-fluoro-2-pyridinyl)amino]-6-methyl-2-pyridinyl]piperidin-1-yl]-(8-methylimidazo[1,2-a]pyridin-2-yl)methanone
SMILESCc1cc(Nc2ccc(F)cn2)cc(C2CCN(C(=O)c3cn4cccc(C)c4n3)CC2)n1
InChIInChI=1S/C25H25FN6O/c1-16-4-3-9-32-15-22(30-24(16)32)25(33)31-10-7-18(8-11-31)21-13-20(12-17(2)28-21)29-23-6-5-19(26)14-27-23/h3-6,9,12-15,18H,7-8,10-11H2,1-2H3,(H,27,28,29)
InChIKeyARFYAWUBAQBPME-UHFFFAOYSA-N
XLogP4.64
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.51
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-[4-[(5-fluoro-2-pyridinyl)amino]-6-methyl-2-pyridinyl]piperidin-1-yl]-(8-methylimidazo[1,2-a]pyridin-2-yl)methanone?
The IUPAC name of [4-[4-[(5-fluoro-2-pyridinyl)amino]-6-methyl-2-pyridinyl]piperidin-1-yl]-(8-methylimidazo[1,2-a]pyridin-2-yl)methanone (CID 110093216) is [4-[4-[(5-fluoro-2-pyridinyl)amino]-6-methyl-2-pyridinyl]piperidin-1-yl]-(8-methylimidazo[1,2-a]pyridin-2-yl)methanone.
What is the SMILES notation for [4-[4-[(5-fluoro-2-pyridinyl)amino]-6-methyl-2-pyridinyl]piperidin-1-yl]-(8-methylimidazo[1,2-a]pyridin-2-yl)methanone?
The canonical SMILES for [4-[4-[(5-fluoro-2-pyridinyl)amino]-6-methyl-2-pyridinyl]piperidin-1-yl]-(8-methylimidazo[1,2-a]pyridin-2-yl)methanone is Cc1cc(Nc2ccc(F)cn2)cc(C2CCN(C(=O)c3cn4cccc(C)c4n3)CC2)n1.
What is the InChIKey of [4-[4-[(5-fluoro-2-pyridinyl)amino]-6-methyl-2-pyridinyl]piperidin-1-yl]-(8-methylimidazo[1,2-a]pyridin-2-yl)methanone?
The InChIKey is ARFYAWUBAQBPME-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN6O/c1-16-4-3-9-32-15-22(30-24(16)32)25(33)31-10-7-18(8-11-31)21-13-20(12-17(2)28-21)29-23-6-5-19(26)14-27-23/h3-6,9,12-15,18H,7-8,10-11H2,1-2H3,(H,27,28,29).
What are the key properties of [4-[4-[(5-fluoro-2-pyridinyl)amino]-6-methyl-2-pyridinyl]piperidin-1-yl]-(8-methylimidazo[1,2-a]pyridin-2-yl)methanone?
[4-[4-[(5-fluoro-2-pyridinyl)amino]-6-methyl-2-pyridinyl]piperidin-1-yl]-(8-methylimidazo[1,2-a]pyridin-2-yl)methanone has a molecular weight of 444.51 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[(5-fluoro-2-pyridinyl)amino]-6-methyl-2-pyridinyl]piperidin-1-yl]-(8-methylimidazo[1,2-a]pyridin-2-yl)methanone is sourced from PubChem (CID 110093216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).