3-[3,5-difluoro-6-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridine-7-carboxylic acid

C23H25F2N5O4 — CID 169129477

IUPAC3-[3,5-difluoro-6-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridine-7-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCCC(Nc2nc(-c3cnc4cc(C(=O)O)ccn34)c(F)cc2F)C1
InChIInChI=1S/C23H25F2N5O4/c1-23(2,3)34-22(33)29-7-4-5-14(12-29)27-20-16(25)10-15(24)19(28-20)17-11-26-18-9-13(21(31)32)6-8-30(17)18/h6,8-11,14H,4-5,7,12H2,1-3H3,(H,27,28)(H,31,32)
InChIKeyLOMDKUAOSLUYCP-UHFFFAOYSA-N
MW473.48 g/mol
LogP4.18
Rot. Bonds4

About 3-[3,5-difluoro-6-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridine-7-carboxylic acid

3-[3,5-difluoro-6-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridine-7-carboxylic acid (PubChem CID 169129477) has the molecular formula C23H25F2N5O4 and a molecular weight of 473.48 g/mol. Its IUPAC name is 3-[3,5-difluoro-6-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name3-[3,5-difluoro-6-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridine-7-carboxylic acid
PubChem CID169129477
Molecular FormulaC23H25F2N5O4
Molecular Weight473.48 g/mol
Exact Mass473.19
IUPAC Name3-[3,5-difluoro-6-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridine-7-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCCC(Nc2nc(-c3cnc4cc(C(=O)O)ccn34)c(F)cc2F)C1
InChIInChI=1S/C23H25F2N5O4/c1-23(2,3)34-22(33)29-7-4-5-14(12-29)27-20-16(25)10-15(24)19(28-20)17-11-26-18-9-13(21(31)32)6-8-30(17)18/h6,8-11,14H,4-5,7,12H2,1-3H3,(H,27,28)(H,31,32)
InChIKeyLOMDKUAOSLUYCP-UHFFFAOYSA-N
XLogP4.18
TPSA109.06 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.48
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-[3,5-difluoro-6-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridine-7-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

methyl 3-[3,5-difluoro-6-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridine-7-carboxylate
CID 169129649
4-fluoro-3-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]benzoic acid
CID 113227118
tert-butyl 3-[[3-cyano-5-fluoro-6-[6-(2-hydroxypropan-2-yl)-7-methoxyimidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]amino]piperidine-1-carboxylate
CID 177159611
tert-butyl (3S)-3-[(6-imidazo[1,2-a]pyridin-3-ylpyrazin-2-yl)amino]piperidine-1-carboxylate
CID 58303375
tert-butyl (3R)-3-[(3,5-dimethyl-2-pyridinyl)amino]piperidine-1-carboxylate
CID 140933973
tert-butyl (3R)-3-[(3,6-dimethyl-2-pyridinyl)amino]piperidine-1-carboxylate
CID 140933931
tert-butyl 3-[[6-[7-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]amino]pyrrolidine-1-carboxylate
CID 166962176
tert-butyl (3R)-3-[[5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-morpholin-4-ylpyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 67255748
tert-butyl (3S,4S)-3-[[3,5-difluoro-6-[7-(hydroxymethyl)-6-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]amino]-4-fluoropyrrolidine-1-carboxylate
CID 169074521
tert-butyl (3S)-3-[(4-methyl-2-pyridinyl)amino]piperidine-1-carboxylate
CID 26385053
ethyl 5-fluoro-6-[[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]amino]pyridine-3-carboxylate
CID 68966499
tert-butyl 3-(3,5-difluoroanilino)piperidine-1-carboxylate
CID 103625864

Frequently Asked Questions

What is the IUPAC name of 3-[3,5-difluoro-6-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridine-7-carboxylic acid?
The IUPAC name of 3-[3,5-difluoro-6-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridine-7-carboxylic acid (CID 169129477) is 3-[3,5-difluoro-6-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridine-7-carboxylic acid.
What is the SMILES notation for 3-[3,5-difluoro-6-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridine-7-carboxylic acid?
The canonical SMILES for 3-[3,5-difluoro-6-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridine-7-carboxylic acid is CC(C)(C)OC(=O)N1CCCC(Nc2nc(-c3cnc4cc(C(=O)O)ccn34)c(F)cc2F)C1.
What is the InChIKey of 3-[3,5-difluoro-6-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridine-7-carboxylic acid?
The InChIKey is LOMDKUAOSLUYCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F2N5O4/c1-23(2,3)34-22(33)29-7-4-5-14(12-29)27-20-16(25)10-15(24)19(28-20)17-11-26-18-9-13(21(31)32)6-8-30(17)18/h6,8-11,14H,4-5,7,12H2,1-3H3,(H,27,28)(H,31,32).
What are the key properties of 3-[3,5-difluoro-6-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridine-7-carboxylic acid?
3-[3,5-difluoro-6-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridine-7-carboxylic acid has a molecular weight of 473.48 g/mol, XLogP of 4.18, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,5-difluoro-6-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridine-7-carboxylic acid is sourced from PubChem (CID 169129477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).