tert-butyl 4-[[[2-carbamoyl-6-(3-fluoro-4-pyridinyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]-4-fluoropiperidine-1-carboxylate

C23H27F2N7O3 — CID 164945397

IUPACtert-butyl 4-[[[2-carbamoyl-6-(3-fluoro-4-pyridinyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]-4-fluoropiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(F)(CNc2nc(-c3ccncc3F)cn3cc(C(N)=O)nc23)CC1
InChIInChI=1S/C23H27F2N7O3/c1-22(2,3)35-21(34)31-8-5-23(25,6-9-31)13-28-19-20-30-17(18(26)33)12-32(20)11-16(29-19)14-4-7-27-10-15(14)24/h4,7,10-12H,5-6,8-9,13H2,1-3H3,(H2,26,33)(H,28,29)
InChIKeyTVHAXAXKDHUWJB-UHFFFAOYSA-N
MW487.51 g/mol
LogP3.18
Rot. Bonds5

About tert-butyl 4-[[[2-carbamoyl-6-(3-fluoro-4-pyridinyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]-4-fluoropiperidine-1-carboxylate

tert-butyl 4-[[[2-carbamoyl-6-(3-fluoro-4-pyridinyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]-4-fluoropiperidine-1-carboxylate (PubChem CID 164945397) has the molecular formula C23H27F2N7O3 and a molecular weight of 487.51 g/mol. Its IUPAC name is tert-butyl 4-[[[2-carbamoyl-6-(3-fluoro-4-pyridinyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]-4-fluoropiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[[[2-carbamoyl-6-(3-fluoro-4-pyridinyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]-4-fluoropiperidine-1-carboxylate
PubChem CID164945397
Molecular FormulaC23H27F2N7O3
Molecular Weight487.51 g/mol
Exact Mass487.21
IUPAC Nametert-butyl 4-[[[2-carbamoyl-6-(3-fluoro-4-pyridinyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]-4-fluoropiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(F)(CNc2nc(-c3ccncc3F)cn3cc(C(N)=O)nc23)CC1
InChIInChI=1S/C23H27F2N7O3/c1-22(2,3)35-21(34)31-8-5-23(25,6-9-31)13-28-19-20-30-17(18(26)33)12-32(20)11-16(29-19)14-4-7-27-10-15(14)24/h4,7,10-12H,5-6,8-9,13H2,1-3H3,(H2,26,33)(H,28,29)
InChIKeyTVHAXAXKDHUWJB-UHFFFAOYSA-N
XLogP3.18
TPSA127.74 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.51
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze tert-butyl 4-[[[2-carbamoyl-6-(3-fluoro-4-pyridinyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]-4-fluoropiperidine-1-carboxylate with MolForge

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Related Compounds

ethyl 6-(3-fluoro-4-pyridinyl)-8-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methylamino]imidazo[1,2-a]pyrazine-2-carboxylate
CID 164945339
tert-butyl 4-[[(2-carbamoyl-6-pyridin-4-ylimidazo[1,2-a]pyrazin-8-yl)amino]methyl]-4-cyanopiperidine-1-carboxylate
CID 164945336
6-(3-fluoro-4-pyridinyl)-8-[(4-hydroxy-4-methylcyclohexyl)amino]imidazo[1,2-a]pyrazine-2-carboxamide
CID 164908484
ethyl 8-[[4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methylamino]-3-methyl-6-pyridin-4-ylimidazo[1,2-a]pyrazine-2-carboxylate
CID 164945368
tert-butyl 4-[2-[[2-carbamoyl-6-(2-chloro-4-pyridinyl)imidazo[1,2-a]pyrazin-8-yl]amino]ethyl]-4-cyanopiperidine-1-carboxylate
CID 164945308
8-[(4-fluoropiperidin-4-yl)methylamino]-6-(1,3-thiazol-5-yl)imidazo[1,2-a]pyrazine-2-carboxamide
CID 164945410
ethyl 6-(2-chloro-4-pyridinyl)-8-[[4-cyano-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methylamino]imidazo[1,2-a]pyrazine-2-carboxylate
CID 164945388
tert-butyl 4-[[[2-(2-methoxyethylcarbamoyl)-6-pyridin-4-ylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]piperidine-1-carboxylate
CID 164945363
ethyl 6-(2-chloro-4-pyridinyl)-8-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methylamino]imidazo[1,2-a]pyrazine-2-carboxylate
CID 164945384
tert-butyl 4-[[[6-chloro-3-(methylcarbamoyl)pyridazin-4-yl]amino]methyl]-4-fluoropiperidine-1-carboxylate
CID 172737392
tert-butyl 4-oxospiro[3H-pyrano[2,3-c]pyridine-2,4'-piperidine]-1'-carboxylate
CID 126638043
tert-butyl 4-[(3,4-difluorophenyl)methyl]-4-fluoropiperidine-1-carboxylate
CID 154662489

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[[2-carbamoyl-6-(3-fluoro-4-pyridinyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]-4-fluoropiperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[[[2-carbamoyl-6-(3-fluoro-4-pyridinyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]-4-fluoropiperidine-1-carboxylate (CID 164945397) is tert-butyl 4-[[[2-carbamoyl-6-(3-fluoro-4-pyridinyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]-4-fluoropiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[[[2-carbamoyl-6-(3-fluoro-4-pyridinyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]-4-fluoropiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[[[2-carbamoyl-6-(3-fluoro-4-pyridinyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]-4-fluoropiperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(F)(CNc2nc(-c3ccncc3F)cn3cc(C(N)=O)nc23)CC1.
What is the InChIKey of tert-butyl 4-[[[2-carbamoyl-6-(3-fluoro-4-pyridinyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]-4-fluoropiperidine-1-carboxylate?
The InChIKey is TVHAXAXKDHUWJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27F2N7O3/c1-22(2,3)35-21(34)31-8-5-23(25,6-9-31)13-28-19-20-30-17(18(26)33)12-32(20)11-16(29-19)14-4-7-27-10-15(14)24/h4,7,10-12H,5-6,8-9,13H2,1-3H3,(H2,26,33)(H,28,29).
What are the key properties of tert-butyl 4-[[[2-carbamoyl-6-(3-fluoro-4-pyridinyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]-4-fluoropiperidine-1-carboxylate?
tert-butyl 4-[[[2-carbamoyl-6-(3-fluoro-4-pyridinyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]-4-fluoropiperidine-1-carboxylate has a molecular weight of 487.51 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[[2-carbamoyl-6-(3-fluoro-4-pyridinyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]-4-fluoropiperidine-1-carboxylate is sourced from PubChem (CID 164945397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).