4-[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]pyrimidin-4-yl]piperazine-1-carboxylic acid

C26H33FN8O4 — CID 67260898

IUPAC4-[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]pyrimidin-4-yl]piperazine-1-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCCC(Nc2cc(N3CCN(C(=O)O)CC3)nc(-c3cnc4ccc(F)cn34)n2)C1
InChIInChI=1S/C26H33FN8O4/c1-26(2,3)39-25(38)34-8-4-5-18(16-34)29-20-13-22(32-9-11-33(12-10-32)24(36)37)31-23(30-20)19-14-28-21-7-6-17(27)15-35(19)21/h6-7,13-15,18H,4-5,8-12,16H2,1-3H3,(H,36,37)(H,29,30,31)
InChIKeyPFUVHUBCBZFPGB-UHFFFAOYSA-N
MW540.60 g/mol
LogP3.54
Rot. Bonds4

About 4-[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]pyrimidin-4-yl]piperazine-1-carboxylic acid

4-[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]pyrimidin-4-yl]piperazine-1-carboxylic acid (PubChem CID 67260898) has the molecular formula C26H33FN8O4 and a molecular weight of 540.60 g/mol. Its IUPAC name is 4-[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]pyrimidin-4-yl]piperazine-1-carboxylic acid.

Molecular Properties

Compound Name4-[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]pyrimidin-4-yl]piperazine-1-carboxylic acid
PubChem CID67260898
Molecular FormulaC26H33FN8O4
Molecular Weight540.60 g/mol
Exact Mass540.26
IUPAC Name4-[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]pyrimidin-4-yl]piperazine-1-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCCC(Nc2cc(N3CCN(C(=O)O)CC3)nc(-c3cnc4ccc(F)cn34)n2)C1
InChIInChI=1S/C26H33FN8O4/c1-26(2,3)39-25(38)34-8-4-5-18(16-34)29-20-13-22(32-9-11-33(12-10-32)24(36)37)31-23(30-20)19-14-28-21-7-6-17(27)15-35(19)21/h6-7,13-15,18H,4-5,8-12,16H2,1-3H3,(H,36,37)(H,29,30,31)
InChIKeyPFUVHUBCBZFPGB-UHFFFAOYSA-N
XLogP3.54
TPSA128.43 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500540.60
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 4-[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]pyrimidin-4-yl]piperazine-1-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]pyrimidin-4-yl]piperazine-1-carboxylic acid?
The IUPAC name of 4-[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]pyrimidin-4-yl]piperazine-1-carboxylic acid (CID 67260898) is 4-[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]pyrimidin-4-yl]piperazine-1-carboxylic acid.
What is the SMILES notation for 4-[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]pyrimidin-4-yl]piperazine-1-carboxylic acid?
The canonical SMILES for 4-[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]pyrimidin-4-yl]piperazine-1-carboxylic acid is CC(C)(C)OC(=O)N1CCCC(Nc2cc(N3CCN(C(=O)O)CC3)nc(-c3cnc4ccc(F)cn34)n2)C1.
What is the InChIKey of 4-[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]pyrimidin-4-yl]piperazine-1-carboxylic acid?
The InChIKey is PFUVHUBCBZFPGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33FN8O4/c1-26(2,3)39-25(38)34-8-4-5-18(16-34)29-20-13-22(32-9-11-33(12-10-32)24(36)37)31-23(30-20)19-14-28-21-7-6-17(27)15-35(19)21/h6-7,13-15,18H,4-5,8-12,16H2,1-3H3,(H,36,37)(H,29,30,31).
What are the key properties of 4-[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]pyrimidin-4-yl]piperazine-1-carboxylic acid?
4-[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]pyrimidin-4-yl]piperazine-1-carboxylic acid has a molecular weight of 540.60 g/mol, XLogP of 3.54, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]pyrimidin-4-yl]piperazine-1-carboxylic acid is sourced from PubChem (CID 67260898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).