tert-butyl 4-[6-[1-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)ethenylamino]-3-pyridinyl]piperazine-1-carboxylate

C24H29FN6O2 — CID 168888330

IUPACtert-butyl 4-[6-[1-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)ethenylamino]-3-pyridinyl]piperazine-1-carboxylate
SMILESC=C(Nc1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)cn1)c1cc(F)c2nc(C)cn2c1
InChIInChI=1S/C24H29FN6O2/c1-16-14-31-15-18(12-20(25)22(31)27-16)17(2)28-21-7-6-19(13-26-21)29-8-10-30(11-9-29)23(32)33-24(3,4)5/h6-7,12-15H,2,8-11H2,1,3-5H3,(H,26,28)
InChIKeyZJWDQUDURBJNQA-UHFFFAOYSA-N
MW452.53 g/mol
LogP4.32
Rot. Bonds4

About tert-butyl 4-[6-[1-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)ethenylamino]-3-pyridinyl]piperazine-1-carboxylate

tert-butyl 4-[6-[1-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)ethenylamino]-3-pyridinyl]piperazine-1-carboxylate (PubChem CID 168888330) has the molecular formula C24H29FN6O2 and a molecular weight of 452.53 g/mol. Its IUPAC name is tert-butyl 4-[6-[1-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)ethenylamino]-3-pyridinyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[6-[1-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)ethenylamino]-3-pyridinyl]piperazine-1-carboxylate
PubChem CID168888330
Molecular FormulaC24H29FN6O2
Molecular Weight452.53 g/mol
Exact Mass452.23
IUPAC Nametert-butyl 4-[6-[1-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)ethenylamino]-3-pyridinyl]piperazine-1-carboxylate
SMILESC=C(Nc1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)cn1)c1cc(F)c2nc(C)cn2c1
InChIInChI=1S/C24H29FN6O2/c1-16-14-31-15-18(12-20(25)22(31)27-16)17(2)28-21-7-6-19(13-26-21)29-8-10-30(11-9-29)23(32)33-24(3,4)5/h6-7,12-15H,2,8-11H2,1,3-5H3,(H,26,28)
InChIKeyZJWDQUDURBJNQA-UHFFFAOYSA-N
XLogP4.32
TPSA75.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.53
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze tert-butyl 4-[6-[1-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)ethenylamino]-3-pyridinyl]piperazine-1-carboxylate with MolForge

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Related Compounds

tert-butyl 4-[6-[[amino-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)methylidene]amino]-3-pyridinyl]-1,4-diazepane-1-carboxylate
CID 172601505
tert-butyl 4-[6-[(Z)-[amino-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)methylidene]amino]-5-fluoro-3-pyridinyl]piperazine-1-carboxylate
CID 172601560
tert-butyl 4-[6-(aminomethylideneamino)-3-pyridinyl]piperazine-1-carboxylate;2,6,8-trimethylimidazo[1,2-a]pyridine
CID 172601521
tert-butyl 4-[6-[[1-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methylprop-1-enyl]amino]-5-methyl-3-pyridinyl]-2-methylpiperazine-1-carboxylate
CID 168888282
tert-butyl 4-[7-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-2-methyl-1H-indol-4-yl]piperazine-1-carboxylate
CID 175593388
tert-butyl 4-[3-amino-4-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-2-methanimidoylphenyl]piperazine-1-carboxylate
CID 176741539
tert-butyl 3-[6-[[amino-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)methylidene]amino]-3-pyridinyl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate
CID 172601531
tert-butyl 4-[6-[[1-[4-cyano-3-(trifluoromethyl)phenyl]piperidine-4-carbonyl]amino]-3-pyridinyl]piperazine-1-carboxylate
CID 162681765
tert-butyl 4-[2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-7-yl]piperazine-1-carboxylate;ethane
CID 172601447
tert-butyl 4-[6-fluoro-7-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-2-methyl-1H-indol-4-yl]piperazine-1-carboxylate
CID 175593444
tert-butyl 4-[7-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-methylcarbamoyl]-2-methylindazol-4-yl]piperazine-1-carboxylate
CID 167501943
tert-butyl 4-[4-[[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]carbamoyl]phenyl]-1,4-diazepane-1-carboxylate
CID 21075308

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[6-[1-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)ethenylamino]-3-pyridinyl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-[6-[1-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)ethenylamino]-3-pyridinyl]piperazine-1-carboxylate (CID 168888330) is tert-butyl 4-[6-[1-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)ethenylamino]-3-pyridinyl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[6-[1-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)ethenylamino]-3-pyridinyl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[6-[1-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)ethenylamino]-3-pyridinyl]piperazine-1-carboxylate is C=C(Nc1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)cn1)c1cc(F)c2nc(C)cn2c1.
What is the InChIKey of tert-butyl 4-[6-[1-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)ethenylamino]-3-pyridinyl]piperazine-1-carboxylate?
The InChIKey is ZJWDQUDURBJNQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN6O2/c1-16-14-31-15-18(12-20(25)22(31)27-16)17(2)28-21-7-6-19(13-26-21)29-8-10-30(11-9-29)23(32)33-24(3,4)5/h6-7,12-15H,2,8-11H2,1,3-5H3,(H,26,28).
What are the key properties of tert-butyl 4-[6-[1-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)ethenylamino]-3-pyridinyl]piperazine-1-carboxylate?
tert-butyl 4-[6-[1-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)ethenylamino]-3-pyridinyl]piperazine-1-carboxylate has a molecular weight of 452.53 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[6-[1-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)ethenylamino]-3-pyridinyl]piperazine-1-carboxylate is sourced from PubChem (CID 168888330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).