tert-butyl N-[1-[2-(2-amino-3-pyridinyl)-5-methylimidazo[4,5-b]pyridin-3-yl]piperidin-4-yl]carbamate

C22H29N7O2 — CID 171563426

IUPACtert-butyl N-[1-[2-(2-amino-3-pyridinyl)-5-methylimidazo[4,5-b]pyridin-3-yl]piperidin-4-yl]carbamate
SMILESCc1ccc2nc(-c3cccnc3N)n(N3CCC(NC(=O)OC(C)(C)C)CC3)c2n1
InChIInChI=1S/C22H29N7O2/c1-14-7-8-17-20(25-14)29(19(27-17)16-6-5-11-24-18(16)23)28-12-9-15(10-13-28)26-21(30)31-22(2,3)4/h5-8,11,15H,9-10,12-13H2,1-4H3,(H2,23,24)(H,26,30)
InChIKeyHIOGWHCRMQINEY-UHFFFAOYSA-N
MW423.52 g/mol
LogP3.01
Rot. Bonds3

About tert-butyl N-[1-[2-(2-amino-3-pyridinyl)-5-methylimidazo[4,5-b]pyridin-3-yl]piperidin-4-yl]carbamate

tert-butyl N-[1-[2-(2-amino-3-pyridinyl)-5-methylimidazo[4,5-b]pyridin-3-yl]piperidin-4-yl]carbamate (PubChem CID 171563426) has the molecular formula C22H29N7O2 and a molecular weight of 423.52 g/mol. Its IUPAC name is tert-butyl N-[1-[2-(2-amino-3-pyridinyl)-5-methylimidazo[4,5-b]pyridin-3-yl]piperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[2-(2-amino-3-pyridinyl)-5-methylimidazo[4,5-b]pyridin-3-yl]piperidin-4-yl]carbamate
PubChem CID171563426
Molecular FormulaC22H29N7O2
Molecular Weight423.52 g/mol
Exact Mass423.24
IUPAC Nametert-butyl N-[1-[2-(2-amino-3-pyridinyl)-5-methylimidazo[4,5-b]pyridin-3-yl]piperidin-4-yl]carbamate
SMILESCc1ccc2nc(-c3cccnc3N)n(N3CCC(NC(=O)OC(C)(C)C)CC3)c2n1
InChIInChI=1S/C22H29N7O2/c1-14-7-8-17-20(25-14)29(19(27-17)16-6-5-11-24-18(16)23)28-12-9-15(10-13-28)26-21(30)31-22(2,3)4/h5-8,11,15H,9-10,12-13H2,1-4H3,(H2,23,24)(H,26,30)
InChIKeyHIOGWHCRMQINEY-UHFFFAOYSA-N
XLogP3.01
TPSA111.19 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.52
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze tert-butyl N-[1-[2-(2-amino-3-pyridinyl)-5-methylimidazo[4,5-b]pyridin-3-yl]piperidin-4-yl]carbamate with MolForge

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Related Compounds

tert-butyl N-[1-[[4-[2-(2-amino-3-pyridinyl)-5-chloroimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]piperidin-4-yl]carbamate
CID 171495856
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
tert-butyl 4-[2-(2-amino-3-pyridinyl)-5-(3-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]piperazine-1-carboxylate
CID 174249634
N-[1-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]piperidin-4-yl]-3-cyanopyridazine-4-carboxamide
CID 171494417
3-[[1-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]piperidin-4-yl]amino]-2-methoxybenzaldehyde
CID 174252150
tert-butyl N-[1-(6-methyl-2-pyridinyl)piperidin-3-yl]carbamate
CID 133482310
tert-butyl N-[1-(6-aminoisoquinolin-1-yl)piperidin-4-yl]carbamate
CID 138048047
tert-butyl N-[(3R)-1-(2-methyl-4-pyridinyl)pyrrolidin-3-yl]carbamate
CID 165092295
tert-butyl N-[1-(3-methylquinoxalin-2-yl)pyrrolidin-3-yl]carbamate
CID 133293160
tert-butyl N-(1-quinoxalin-2-ylpiperidin-4-yl)carbamate
CID 71632141
tert-butyl N-[(3S)-1-pyridin-3-ylpyrrolidin-3-yl]carbamate
CID 131747678

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[2-(2-amino-3-pyridinyl)-5-methylimidazo[4,5-b]pyridin-3-yl]piperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[2-(2-amino-3-pyridinyl)-5-methylimidazo[4,5-b]pyridin-3-yl]piperidin-4-yl]carbamate (CID 171563426) is tert-butyl N-[1-[2-(2-amino-3-pyridinyl)-5-methylimidazo[4,5-b]pyridin-3-yl]piperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[2-(2-amino-3-pyridinyl)-5-methylimidazo[4,5-b]pyridin-3-yl]piperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[2-(2-amino-3-pyridinyl)-5-methylimidazo[4,5-b]pyridin-3-yl]piperidin-4-yl]carbamate is Cc1ccc2nc(-c3cccnc3N)n(N3CCC(NC(=O)OC(C)(C)C)CC3)c2n1.
What is the InChIKey of tert-butyl N-[1-[2-(2-amino-3-pyridinyl)-5-methylimidazo[4,5-b]pyridin-3-yl]piperidin-4-yl]carbamate?
The InChIKey is HIOGWHCRMQINEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N7O2/c1-14-7-8-17-20(25-14)29(19(27-17)16-6-5-11-24-18(16)23)28-12-9-15(10-13-28)26-21(30)31-22(2,3)4/h5-8,11,15H,9-10,12-13H2,1-4H3,(H2,23,24)(H,26,30).
What are the key properties of tert-butyl N-[1-[2-(2-amino-3-pyridinyl)-5-methylimidazo[4,5-b]pyridin-3-yl]piperidin-4-yl]carbamate?
tert-butyl N-[1-[2-(2-amino-3-pyridinyl)-5-methylimidazo[4,5-b]pyridin-3-yl]piperidin-4-yl]carbamate has a molecular weight of 423.52 g/mol, XLogP of 3.01, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[2-(2-amino-3-pyridinyl)-5-methylimidazo[4,5-b]pyridin-3-yl]piperidin-4-yl]carbamate is sourced from PubChem (CID 171563426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).