tert-butyl N-[1-(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)azepan-3-yl]carbamate

C17H25N5O3 — CID 123942121

IUPACtert-butyl N-[1-(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)azepan-3-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCCCN(c2ccnc3[nH]c(=O)[nH]c23)C1
InChIInChI=1S/C17H25N5O3/c1-17(2,3)25-16(24)19-11-6-4-5-9-22(10-11)12-7-8-18-14-13(12)20-15(23)21-14/h7-8,11H,4-6,9-10H2,1-3H3,(H,19,24)(H2,18,20,21,23)
InChIKeyLYFZYAHTNHGKNT-UHFFFAOYSA-N
MW347.42 g/mol
LogP2.13
Rot. Bonds2

About tert-butyl N-[1-(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)azepan-3-yl]carbamate

tert-butyl N-[1-(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)azepan-3-yl]carbamate (PubChem CID 123942121) has the molecular formula C17H25N5O3 and a molecular weight of 347.42 g/mol. Its IUPAC name is tert-butyl N-[1-(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)azepan-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)azepan-3-yl]carbamate
PubChem CID123942121
Molecular FormulaC17H25N5O3
Molecular Weight347.42 g/mol
Exact Mass347.20
IUPAC Nametert-butyl N-[1-(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)azepan-3-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCCCN(c2ccnc3[nH]c(=O)[nH]c23)C1
InChIInChI=1S/C17H25N5O3/c1-17(2,3)25-16(24)19-11-6-4-5-9-22(10-11)12-7-8-18-14-13(12)20-15(23)21-14/h7-8,11H,4-6,9-10H2,1-3H3,(H,19,24)(H2,18,20,21,23)
InChIKeyLYFZYAHTNHGKNT-UHFFFAOYSA-N
XLogP2.13
TPSA103.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[1-(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)azepan-3-yl]carbamate with MolForge

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Related Compounds

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tert-butyl N-[1-(4-amino-2-pyridinyl)piperidin-3-yl]carbamate
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tert-butyl N-[1-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-3-yl]carbamate
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tert-butyl N-[(3S)-1-(6-pyrimidin-2-ylquinolin-4-yl)piperidin-3-yl]carbamate
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tert-butyl N-(1-hydroxyazepan-3-yl)carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)azepan-3-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)azepan-3-yl]carbamate (CID 123942121) is tert-butyl N-[1-(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)azepan-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)azepan-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)azepan-3-yl]carbamate is CC(C)(C)OC(=O)NC1CCCCN(c2ccnc3[nH]c(=O)[nH]c23)C1.
What is the InChIKey of tert-butyl N-[1-(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)azepan-3-yl]carbamate?
The InChIKey is LYFZYAHTNHGKNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O3/c1-17(2,3)25-16(24)19-11-6-4-5-9-22(10-11)12-7-8-18-14-13(12)20-15(23)21-14/h7-8,11H,4-6,9-10H2,1-3H3,(H,19,24)(H2,18,20,21,23).
What are the key properties of tert-butyl N-[1-(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)azepan-3-yl]carbamate?
tert-butyl N-[1-(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)azepan-3-yl]carbamate has a molecular weight of 347.42 g/mol, XLogP of 2.13, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)azepan-3-yl]carbamate is sourced from PubChem (CID 123942121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).