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

C23H27F2N7O2 — CID 172601560

IUPACtert-butyl 4-[6-[(Z)-[amino-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)methylidene]amino]-5-fluoro-3-pyridinyl]piperazine-1-carboxylate
SMILESCc1cn2cc(/C(N)=N/c3ncc(N4CCN(C(=O)OC(C)(C)C)CC4)cc3F)cc(F)c2n1
InChIInChI=1S/C23H27F2N7O2/c1-14-12-32-13-15(9-18(25)21(32)28-14)19(26)29-20-17(24)10-16(11-27-20)30-5-7-31(8-6-30)22(33)34-23(2,3)4/h9-13H,5-8H2,1-4H3,(H2,26,27,29)
InChIKeyWJYXQHPGYYKHFH-UHFFFAOYSA-N
MW471.51 g/mol
LogP3.41
Rot. Bonds3

About 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

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 (PubChem CID 172601560) has the molecular formula C23H27F2N7O2 and a molecular weight of 471.51 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Nametert-butyl 4-[6-[(Z)-[amino-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)methylidene]amino]-5-fluoro-3-pyridinyl]piperazine-1-carboxylate
PubChem CID172601560
Molecular FormulaC23H27F2N7O2
Molecular Weight471.51 g/mol
Exact Mass471.22
IUPAC Nametert-butyl 4-[6-[(Z)-[amino-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)methylidene]amino]-5-fluoro-3-pyridinyl]piperazine-1-carboxylate
SMILESCc1cn2cc(/C(N)=N/c3ncc(N4CCN(C(=O)OC(C)(C)C)CC4)cc3F)cc(F)c2n1
InChIInChI=1S/C23H27F2N7O2/c1-14-12-32-13-15(9-18(25)21(32)28-14)19(26)29-20-17(24)10-16(11-27-20)30-5-7-31(8-6-30)22(33)34-23(2,3)4/h9-13H,5-8H2,1-4H3,(H2,26,27,29)
InChIKeyWJYXQHPGYYKHFH-UHFFFAOYSA-N
XLogP3.41
TPSA101.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.51
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 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 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-[1-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)ethenylamino]-3-pyridinyl]piperazine-1-carboxylate
CID 168888330
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-(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-[6-(aminomethylideneamino)-3-pyridinyl]piperazine-1-carboxylate;2,6,8-trimethylimidazo[1,2-a]pyridine
CID 172601521
tert-butyl 4-[5-fluoro-6-(methylcarbamoyl)-3-pyridinyl]piperazine-1-carboxylate
CID 166021875
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-[2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)thieno[2,3-d][1,3]thiazol-5-yl]piperidine-1-carboxylate
CID 162433134
tert-butyl 4-[5-chloro-7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-1,8-naphthyridin-3-yl]piperazine-1-carboxylate
CID 168978654
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-(2-chloro-5-fluoropyrimidin-4-yl)piperazine-1-carboxylate
CID 56763780
tert-butyl 4-(6-methylimidazo[1,2-a]pyrazin-8-yl)piperazine-1-carboxylate
CID 10425966

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cn2cc(/C(N)=N/c3ncc(N4CCN(C(=O)OC(C)(C)C)CC4)cc3F)cc(F)c2n1.
What is the InChIKey of 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?
The InChIKey is WJYXQHPGYYKHFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27F2N7O2/c1-14-12-32-13-15(9-18(25)21(32)28-14)19(26)29-20-17(24)10-16(11-27-20)30-5-7-31(8-6-30)22(33)34-23(2,3)4/h9-13H,5-8H2,1-4H3,(H2,26,27,29).
What are the key properties of 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?
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 has a molecular weight of 471.51 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 172601560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).