tert-butyl 4-[2-(2-amino-3-pyridinyl)-5-(3-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]piperazine-1-carboxylate

C26H28FN7O2 — CID 174249634

IUPACtert-butyl 4-[2-(2-amino-3-pyridinyl)-5-(3-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(n2c(-c3cccnc3N)nc3ccc(-c4cccc(F)c4)nc32)CC1
InChIInChI=1S/C26H28FN7O2/c1-26(2,3)36-25(35)32-12-14-33(15-13-32)34-23(19-8-5-11-29-22(19)28)31-21-10-9-20(30-24(21)34)17-6-4-7-18(27)16-17/h4-11,16H,12-15H2,1-3H3,(H2,28,29)
InChIKeyGFXSSPJRKNXCTK-UHFFFAOYSA-N
MW489.56 g/mol
LogP4.07
Rot. Bonds3

About tert-butyl 4-[2-(2-amino-3-pyridinyl)-5-(3-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]piperazine-1-carboxylate

tert-butyl 4-[2-(2-amino-3-pyridinyl)-5-(3-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]piperazine-1-carboxylate (PubChem CID 174249634) has the molecular formula C26H28FN7O2 and a molecular weight of 489.56 g/mol. Its IUPAC name is tert-butyl 4-[2-(2-amino-3-pyridinyl)-5-(3-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-(2-amino-3-pyridinyl)-5-(3-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]piperazine-1-carboxylate
PubChem CID174249634
Molecular FormulaC26H28FN7O2
Molecular Weight489.56 g/mol
Exact Mass489.23
IUPAC Nametert-butyl 4-[2-(2-amino-3-pyridinyl)-5-(3-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(n2c(-c3cccnc3N)nc3ccc(-c4cccc(F)c4)nc32)CC1
InChIInChI=1S/C26H28FN7O2/c1-26(2,3)36-25(35)32-12-14-33(15-13-32)34-23(19-8-5-11-29-22(19)28)31-21-10-9-20(30-24(21)34)17-6-4-7-18(27)16-17/h4-11,16H,12-15H2,1-3H3,(H2,28,29)
InChIKeyGFXSSPJRKNXCTK-UHFFFAOYSA-N
XLogP4.07
TPSA102.40 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.56
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze tert-butyl 4-[2-(2-amino-3-pyridinyl)-5-(3-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]piperazine-1-carboxylate with MolForge

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Related Compounds

tert-butyl 4-[1-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]but-3-enyl]piperazine-1-carboxylate
CID 174278661
tert-butyl N-[1-[2-(2-amino-3-pyridinyl)-5-methylimidazo[4,5-b]pyridin-3-yl]piperidin-4-yl]carbamate
CID 171563426
3-[3-(4-aminopiperidin-1-yl)-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]benzonitrile
CID 171496360
tert-butyl 4-formylpiperazine-1-carboxylate;3-[3-[4-(1-methylpyrrolidin-3-yl)phenyl]-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
CID 178147988
tert-butyl (2R)-4-[1-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]ethyl]-2-methylpiperazine-1-carboxylate
CID 171495957
3-[[1-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]piperidin-4-yl]amino]-2-methoxybenzaldehyde
CID 174252150
3-[3-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
CID 171068857
tert-butyl N-[3-[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]oxetan-3-yl]carbamate
CID 123491341
tert-butyl N-[1-[[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]azepan-4-yl]carbamate
CID 171103401
tert-butyl N-[1-[1-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]but-3-enyl]azepan-4-yl]carbamate
CID 171068728
N-[1-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]piperidin-4-yl]-3-cyanopyridazine-4-carboxamide
CID 171494417
tert-butyl 4-(6-fluoroquinolin-4-yl)piperazine-1-carboxylate
CID 121318185

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-(2-amino-3-pyridinyl)-5-(3-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-(2-amino-3-pyridinyl)-5-(3-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]piperazine-1-carboxylate (CID 174249634) is tert-butyl 4-[2-(2-amino-3-pyridinyl)-5-(3-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-(2-amino-3-pyridinyl)-5-(3-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-(2-amino-3-pyridinyl)-5-(3-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(n2c(-c3cccnc3N)nc3ccc(-c4cccc(F)c4)nc32)CC1.
What is the InChIKey of tert-butyl 4-[2-(2-amino-3-pyridinyl)-5-(3-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]piperazine-1-carboxylate?
The InChIKey is GFXSSPJRKNXCTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN7O2/c1-26(2,3)36-25(35)32-12-14-33(15-13-32)34-23(19-8-5-11-29-22(19)28)31-21-10-9-20(30-24(21)34)17-6-4-7-18(27)16-17/h4-11,16H,12-15H2,1-3H3,(H2,28,29).
What are the key properties of tert-butyl 4-[2-(2-amino-3-pyridinyl)-5-(3-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]piperazine-1-carboxylate?
tert-butyl 4-[2-(2-amino-3-pyridinyl)-5-(3-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]piperazine-1-carboxylate has a molecular weight of 489.56 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-(2-amino-3-pyridinyl)-5-(3-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]piperazine-1-carboxylate is sourced from PubChem (CID 174249634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).