tert-butyl 4-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-6-yl]piperidine-1-carboxylate

C29H32N4O3 — CID 122451438

IUPACtert-butyl 4-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-6-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2cnc3nc(-c4ccc(OCc5ccccc5)cc4)[nH]c3c2)CC1
InChIInChI=1S/C29H32N4O3/c1-29(2,3)36-28(34)33-15-13-21(14-16-33)23-17-25-27(30-18-23)32-26(31-25)22-9-11-24(12-10-22)35-19-20-7-5-4-6-8-20/h4-12,17-18,21H,13-16,19H2,1-3H3,(H,30,31,32)
InChIKeyHVDPJVUXVHUYOQ-UHFFFAOYSA-N
MW484.60 g/mol
LogP6.32
Rot. Bonds5

About tert-butyl 4-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-6-yl]piperidine-1-carboxylate

tert-butyl 4-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-6-yl]piperidine-1-carboxylate (PubChem CID 122451438) has the molecular formula C29H32N4O3 and a molecular weight of 484.60 g/mol. Its IUPAC name is tert-butyl 4-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-6-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-6-yl]piperidine-1-carboxylate
PubChem CID122451438
Molecular FormulaC29H32N4O3
Molecular Weight484.60 g/mol
Exact Mass484.25
IUPAC Nametert-butyl 4-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-6-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2cnc3nc(-c4ccc(OCc5ccccc5)cc4)[nH]c3c2)CC1
InChIInChI=1S/C29H32N4O3/c1-29(2,3)36-28(34)33-15-13-21(14-16-33)23-17-25-27(30-18-23)32-26(31-25)22-9-11-24(12-10-22)35-19-20-7-5-4-6-8-20/h4-12,17-18,21H,13-16,19H2,1-3H3,(H,30,31,32)
InChIKeyHVDPJVUXVHUYOQ-UHFFFAOYSA-N
XLogP6.32
TPSA80.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.60
LogP ≤ 56.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl 4-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-6-yl]piperidine-1-carboxylate with MolForge

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Related Compounds

tert-butyl 4-[2-(3-bromo-4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-6-yl]piperidine-1-carboxylate;methane;2-[3-(1-methylpyrazol-4-yl)-4-phenylmethoxyphenyl]-6-piperidin-4-yl-1H-imidazo[4,5-b]pyridine
CID 158401864
4-[2-(3-carbamoyl-4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-6-yl]piperidine-1-carboxylic acid
CID 90356813
tert-butyl 4-[4-[(4-phenylmethoxyphenoxy)methyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate
CID 25027098
tert-butyl 3-[2-[4-(phenoxymethyl)phenyl]-1H-imidazo[4,5-b]pyridin-5-yl]piperidine-1-carboxylate;methane;2-[4-(phenoxymethyl)phenyl]-5-piperidin-3-yl-1H-imidazo[4,5-b]pyridine
CID 157166783
tert-butyl 4-quinolin-3-ylpiperidine-1-carboxylate
CID 102136032
tert-butyl (3R,4R)-3-hydroxy-4-(4-phenylmethoxyphenyl)piperidine-1-carboxylate
CID 52910991
tert-butyl 4-[(5-phenylmethoxy-2-pyridinyl)methyl]piperidine-1-carboxylate
CID 171082980
tert-butyl 4-[(3-phenylmethoxyphenyl)methoxy]piperidine-1-carboxylate
CID 171082503
tert-butyl 4-[3-[(4-methylsulfanylphenyl)methoxy]phenyl]piperidine-1-carboxylate
CID 143927612
tert-butyl 4-[2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]-2,3-dihydro-1H-imidazo[4,5-b]pyridin-6-yl]piperidine-1-carboxylate
CID 131748937
5-cyclopropyl-2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridine
CID 90368196
tert-butyl (3S)-3-[(5-phenylmethoxy-2-pyridinyl)oxy]pyrrolidine-1-carboxylate
CID 134579999

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-6-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-6-yl]piperidine-1-carboxylate (CID 122451438) is tert-butyl 4-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-6-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-6-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-6-yl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(c2cnc3nc(-c4ccc(OCc5ccccc5)cc4)[nH]c3c2)CC1.
What is the InChIKey of tert-butyl 4-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-6-yl]piperidine-1-carboxylate?
The InChIKey is HVDPJVUXVHUYOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N4O3/c1-29(2,3)36-28(34)33-15-13-21(14-16-33)23-17-25-27(30-18-23)32-26(31-25)22-9-11-24(12-10-22)35-19-20-7-5-4-6-8-20/h4-12,17-18,21H,13-16,19H2,1-3H3,(H,30,31,32).
What are the key properties of tert-butyl 4-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-6-yl]piperidine-1-carboxylate?
tert-butyl 4-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-6-yl]piperidine-1-carboxylate has a molecular weight of 484.60 g/mol, XLogP of 6.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-6-yl]piperidine-1-carboxylate is sourced from PubChem (CID 122451438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).