tert-butyl 4-[6-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-1-oxophthalazin-2-yl]piperidine-1-carboxylate

C26H28FN5O3 — CID 156888877

IUPACtert-butyl 4-[6-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-1-oxophthalazin-2-yl]piperidine-1-carboxylate
SMILESCc1cn2cc(-c3ccc4c(=O)n(C5CCN(C(=O)OC(C)(C)C)CC5)ncc4c3)cc(F)c2n1
InChIInChI=1S/C26H28FN5O3/c1-16-14-31-15-19(12-22(27)23(31)29-16)17-5-6-21-18(11-17)13-28-32(24(21)33)20-7-9-30(10-8-20)25(34)35-26(2,3)4/h5-6,11-15,20H,7-10H2,1-4H3
InChIKeyPUBBXXHJIIEMBN-UHFFFAOYSA-N
MW477.54 g/mol
LogP4.73
Rot. Bonds2

About tert-butyl 4-[6-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-1-oxophthalazin-2-yl]piperidine-1-carboxylate

tert-butyl 4-[6-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-1-oxophthalazin-2-yl]piperidine-1-carboxylate (PubChem CID 156888877) has the molecular formula C26H28FN5O3 and a molecular weight of 477.54 g/mol. Its IUPAC name is tert-butyl 4-[6-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-1-oxophthalazin-2-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[6-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-1-oxophthalazin-2-yl]piperidine-1-carboxylate
PubChem CID156888877
Molecular FormulaC26H28FN5O3
Molecular Weight477.54 g/mol
Exact Mass477.22
IUPAC Nametert-butyl 4-[6-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-1-oxophthalazin-2-yl]piperidine-1-carboxylate
SMILESCc1cn2cc(-c3ccc4c(=O)n(C5CCN(C(=O)OC(C)(C)C)CC5)ncc4c3)cc(F)c2n1
InChIInChI=1S/C26H28FN5O3/c1-16-14-31-15-19(12-22(27)23(31)29-16)17-5-6-21-18(11-17)13-28-32(24(21)33)20-7-9-30(10-8-20)25(34)35-26(2,3)4/h5-6,11-15,20H,7-10H2,1-4H3
InChIKeyPUBBXXHJIIEMBN-UHFFFAOYSA-N
XLogP4.73
TPSA81.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.54
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze tert-butyl 4-[6-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-1-oxophthalazin-2-yl]piperidine-1-carboxylate with MolForge

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Related Compounds

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-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-7-fluoroindazol-2-yl]piperidine-1-carboxylate
CID 168902369
tert-butyl 4-[6-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-8-methyl-4-oxo-3H-quinazolin-2-yl]piperidine-1-carboxylate
CID 153382105
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-[5-(6-fluoro-1H-indol-3-yl)indazol-1-yl]piperidine-1-carboxylate
CID 118382763
tert-butyl 4-[5-[(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-4-fluorothiophen-2-yl]piperidine-1-carboxylate
CID 168725199
tert-butyl 4-[7-fluoro-5-(2-methyl-1,3-benzothiazol-6-yl)indazol-2-yl]piperidine-1-carboxylate
CID 168902454
tert-butyl 4-(6-chloropyrazolo[5,4-b]pyridin-1-yl)piperidine-1-carboxylate
CID 163560176
tert-butyl 4-[6-(6-fluoro-1H-indol-3-yl)indazol-1-yl]piperidine-1-carboxylate
CID 118395458
7-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-3-piperidin-4-ylquinazolin-4-one
CID 156889114
tert-butyl 4-(5-bromopyrazolo[3,4-b]pyridin-1-yl)piperidine-1-carboxylate
CID 167328407
1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-6-phenylindazole-4-carboxylic acid
CID 24746486

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[6-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-1-oxophthalazin-2-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[6-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-1-oxophthalazin-2-yl]piperidine-1-carboxylate (CID 156888877) is tert-butyl 4-[6-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-1-oxophthalazin-2-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[6-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-1-oxophthalazin-2-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[6-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-1-oxophthalazin-2-yl]piperidine-1-carboxylate is Cc1cn2cc(-c3ccc4c(=O)n(C5CCN(C(=O)OC(C)(C)C)CC5)ncc4c3)cc(F)c2n1.
What is the InChIKey of tert-butyl 4-[6-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-1-oxophthalazin-2-yl]piperidine-1-carboxylate?
The InChIKey is PUBBXXHJIIEMBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN5O3/c1-16-14-31-15-19(12-22(27)23(31)29-16)17-5-6-21-18(11-17)13-28-32(24(21)33)20-7-9-30(10-8-20)25(34)35-26(2,3)4/h5-6,11-15,20H,7-10H2,1-4H3.
What are the key properties of tert-butyl 4-[6-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-1-oxophthalazin-2-yl]piperidine-1-carboxylate?
tert-butyl 4-[6-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-1-oxophthalazin-2-yl]piperidine-1-carboxylate has a molecular weight of 477.54 g/mol, XLogP of 4.73, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[6-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-1-oxophthalazin-2-yl]piperidine-1-carboxylate is sourced from PubChem (CID 156888877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).