benzyl 4-[[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]amino]piperidine-1-carboxylate

C26H26FN5O2 — CID 12891474

IUPACbenzyl 4-[[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]amino]piperidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCC(Nc2nc3cccnc3n2Cc2ccc(F)cc2)CC1
InChIInChI=1S/C26H26FN5O2/c27-21-10-8-19(9-11-21)17-32-24-23(7-4-14-28-24)30-25(32)29-22-12-15-31(16-13-22)26(33)34-18-20-5-2-1-3-6-20/h1-11,14,22H,12-13,15-18H2,(H,29,30)
InChIKeyDYHDWARLWBMBTJ-UHFFFAOYSA-N
MW459.53 g/mol
LogP4.83
Rot. Bonds6

About benzyl 4-[[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]amino]piperidine-1-carboxylate

benzyl 4-[[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]amino]piperidine-1-carboxylate (PubChem CID 12891474) has the molecular formula C26H26FN5O2 and a molecular weight of 459.53 g/mol. Its IUPAC name is benzyl 4-[[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-[[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]amino]piperidine-1-carboxylate
PubChem CID12891474
Molecular FormulaC26H26FN5O2
Molecular Weight459.53 g/mol
Exact Mass459.21
IUPAC Namebenzyl 4-[[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]amino]piperidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCC(Nc2nc3cccnc3n2Cc2ccc(F)cc2)CC1
InChIInChI=1S/C26H26FN5O2/c27-21-10-8-19(9-11-21)17-32-24-23(7-4-14-28-24)30-25(32)29-22-12-15-31(16-13-22)26(33)34-18-20-5-2-1-3-6-20/h1-11,14,22H,12-13,15-18H2,(H,29,30)
InChIKeyDYHDWARLWBMBTJ-UHFFFAOYSA-N
XLogP4.83
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.53
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of benzyl 4-[[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]amino]piperidine-1-carboxylate?
The IUPAC name of benzyl 4-[[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]amino]piperidine-1-carboxylate (CID 12891474) is benzyl 4-[[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]amino]piperidine-1-carboxylate.
What is the SMILES notation for benzyl 4-[[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]amino]piperidine-1-carboxylate?
The canonical SMILES for benzyl 4-[[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]amino]piperidine-1-carboxylate is O=C(OCc1ccccc1)N1CCC(Nc2nc3cccnc3n2Cc2ccc(F)cc2)CC1.
What is the InChIKey of benzyl 4-[[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]amino]piperidine-1-carboxylate?
The InChIKey is DYHDWARLWBMBTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN5O2/c27-21-10-8-19(9-11-21)17-32-24-23(7-4-14-28-24)30-25(32)29-22-12-15-31(16-13-22)26(33)34-18-20-5-2-1-3-6-20/h1-11,14,22H,12-13,15-18H2,(H,29,30).
What are the key properties of benzyl 4-[[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]amino]piperidine-1-carboxylate?
benzyl 4-[[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]amino]piperidine-1-carboxylate has a molecular weight of 459.53 g/mol, XLogP of 4.83, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-[[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 12891474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).