2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-[[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]methyl]pyrimidine-4-carboxylic acid

C23H26FN5O4 — CID 160848733

IUPAC2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-[[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]methyl]pyrimidine-4-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCC[C@@H](Cc2cc(C(=O)O)nc(-c3cnc4ccc(F)cn34)n2)C1
InChIInChI=1S/C23H26FN5O4/c1-23(2,3)33-22(32)28-8-4-5-14(12-28)9-16-10-17(21(30)31)27-20(26-16)18-11-25-19-7-6-15(24)13-29(18)19/h6-7,10-11,13-14H,4-5,8-9,12H2,1-3H3,(H,30,31)/t14-/m0/s1
InChIKeyPMPNUIXFODGPEY-AWEZNQCLSA-N
MW455.49 g/mol
LogP3.82
Rot. Bonds4

About 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-[[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]methyl]pyrimidine-4-carboxylic acid

2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-[[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]methyl]pyrimidine-4-carboxylic acid (PubChem CID 160848733) has the molecular formula C23H26FN5O4 and a molecular weight of 455.49 g/mol. Its IUPAC name is 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-[[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]methyl]pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-[[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]methyl]pyrimidine-4-carboxylic acid
PubChem CID160848733
Molecular FormulaC23H26FN5O4
Molecular Weight455.49 g/mol
Exact Mass455.20
IUPAC Name2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-[[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]methyl]pyrimidine-4-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCC[C@@H](Cc2cc(C(=O)O)nc(-c3cnc4ccc(F)cn34)n2)C1
InChIInChI=1S/C23H26FN5O4/c1-23(2,3)33-22(32)28-8-4-5-14(12-28)9-16-10-17(21(30)31)27-20(26-16)18-11-25-19-7-6-15(24)13-29(18)19/h6-7,10-11,13-14H,4-5,8-9,12H2,1-3H3,(H,30,31)/t14-/m0/s1
InChIKeyPMPNUIXFODGPEY-AWEZNQCLSA-N
XLogP3.82
TPSA109.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.49
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-[[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]methyl]pyrimidine-4-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-[[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]methyl]pyrimidine-4-carboxylic acid?
The IUPAC name of 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-[[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]methyl]pyrimidine-4-carboxylic acid (CID 160848733) is 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-[[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]methyl]pyrimidine-4-carboxylic acid.
What is the SMILES notation for 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-[[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]methyl]pyrimidine-4-carboxylic acid?
The canonical SMILES for 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-[[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]methyl]pyrimidine-4-carboxylic acid is CC(C)(C)OC(=O)N1CCC[C@@H](Cc2cc(C(=O)O)nc(-c3cnc4ccc(F)cn34)n2)C1.
What is the InChIKey of 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-[[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]methyl]pyrimidine-4-carboxylic acid?
The InChIKey is PMPNUIXFODGPEY-AWEZNQCLSA-N. The full InChI is InChI=1S/C23H26FN5O4/c1-23(2,3)33-22(32)28-8-4-5-14(12-28)9-16-10-17(21(30)31)27-20(26-16)18-11-25-19-7-6-15(24)13-29(18)19/h6-7,10-11,13-14H,4-5,8-9,12H2,1-3H3,(H,30,31)/t14-/m0/s1.
What are the key properties of 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-[[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]methyl]pyrimidine-4-carboxylic acid?
2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-[[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]methyl]pyrimidine-4-carboxylic acid has a molecular weight of 455.49 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-[[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]methyl]pyrimidine-4-carboxylic acid is sourced from PubChem (CID 160848733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).