[1-(3-methyl-2-oxo-1H-imidazo[4,5-b]pyridin-7-yl)piperidin-3-yl] N-tert-butylcarbamate

C17H25N5O3 — CID 70975673

IUPAC[1-(3-methyl-2-oxo-1H-imidazo[4,5-b]pyridin-7-yl)piperidin-3-yl] N-tert-butylcarbamate
SMILESCn1c(=O)[nH]c2c(N3CCCC(OC(=O)NC(C)(C)C)C3)ccnc21
InChIInChI=1S/C17H25N5O3/c1-17(2,3)20-16(24)25-11-6-5-9-22(10-11)12-7-8-18-14-13(12)19-15(23)21(14)4/h7-8,11H,5-6,9-10H2,1-4H3,(H,19,23)(H,20,24)
InChIKeyAHTFWIPEFROGFP-UHFFFAOYSA-N
MW347.42 g/mol
LogP1.76
Rot. Bonds2

About [1-(3-methyl-2-oxo-1H-imidazo[4,5-b]pyridin-7-yl)piperidin-3-yl] N-tert-butylcarbamate

[1-(3-methyl-2-oxo-1H-imidazo[4,5-b]pyridin-7-yl)piperidin-3-yl] N-tert-butylcarbamate (PubChem CID 70975673) has the molecular formula C17H25N5O3 and a molecular weight of 347.42 g/mol. Its IUPAC name is [1-(3-methyl-2-oxo-1H-imidazo[4,5-b]pyridin-7-yl)piperidin-3-yl] N-tert-butylcarbamate.

Molecular Properties

Compound Name[1-(3-methyl-2-oxo-1H-imidazo[4,5-b]pyridin-7-yl)piperidin-3-yl] N-tert-butylcarbamate
PubChem CID70975673
Molecular FormulaC17H25N5O3
Molecular Weight347.42 g/mol
Exact Mass347.20
IUPAC Name[1-(3-methyl-2-oxo-1H-imidazo[4,5-b]pyridin-7-yl)piperidin-3-yl] N-tert-butylcarbamate
SMILESCn1c(=O)[nH]c2c(N3CCCC(OC(=O)NC(C)(C)C)C3)ccnc21
InChIInChI=1S/C17H25N5O3/c1-17(2,3)20-16(24)25-11-6-5-9-22(10-11)12-7-8-18-14-13(12)19-15(23)21(14)4/h7-8,11H,5-6,9-10H2,1-4H3,(H,19,23)(H,20,24)
InChIKeyAHTFWIPEFROGFP-UHFFFAOYSA-N
XLogP1.76
TPSA92.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [1-(3-methyl-2-oxo-1H-imidazo[4,5-b]pyridin-7-yl)piperidin-3-yl] N-tert-butylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(3,3-dimethyl-2-oxo-1H-pyrrolo[3,2-b]pyridin-7-yl)piperidin-3-yl] N-tert-butylcarbamate
CID 70975667
[(3S)-1-(3-amino-4-pyridinyl)piperidin-3-yl] N-tert-butylcarbamate
CID 174794058
[1-(5-nitro-2-pyridinyl)piperidin-3-yl] N-tert-butylcarbamate
CID 174683157
[1-[2-(ethylamino)-6-methyl-3-nitro-4-pyridinyl]piperidin-3-yl] N-tert-butylcarbamate
CID 70975415
tert-butyl N-[1-(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)azepan-3-yl]carbamate
CID 123942121
[1-(2-chloropyrimidin-4-yl)piperidin-4-yl] N-tert-butylcarbamate
CID 174432844
[1-(1H-pyrrolo[3,2-b]pyridin-3-yl)piperidin-4-yl] N-tert-butylcarbamate
CID 91338910
[1-[1-[(2-cyanophenyl)methyl]-3-methyl-2-oxoimidazo[4,5-b]quinolin-9-yl]piperidin-3-yl] N-tert-butylcarbamate
CID 70975555
[(3R)-1-(2-fluoro-4-nitrophenyl)pyrrolidin-3-yl] N-tert-butylcarbamate
CID 91380231
[(3R)-1-benzylpyrrolidin-3-yl] N-tert-butylcarbamate
CID 175027236
[(3S)-1-(3-amino-4-pyridinyl)piperidin-3-yl] carbamate
CID 90281047
N-tert-butyl-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109311314

Frequently Asked Questions

What is the IUPAC name of [1-(3-methyl-2-oxo-1H-imidazo[4,5-b]pyridin-7-yl)piperidin-3-yl] N-tert-butylcarbamate?
The IUPAC name of [1-(3-methyl-2-oxo-1H-imidazo[4,5-b]pyridin-7-yl)piperidin-3-yl] N-tert-butylcarbamate (CID 70975673) is [1-(3-methyl-2-oxo-1H-imidazo[4,5-b]pyridin-7-yl)piperidin-3-yl] N-tert-butylcarbamate.
What is the SMILES notation for [1-(3-methyl-2-oxo-1H-imidazo[4,5-b]pyridin-7-yl)piperidin-3-yl] N-tert-butylcarbamate?
The canonical SMILES for [1-(3-methyl-2-oxo-1H-imidazo[4,5-b]pyridin-7-yl)piperidin-3-yl] N-tert-butylcarbamate is Cn1c(=O)[nH]c2c(N3CCCC(OC(=O)NC(C)(C)C)C3)ccnc21.
What is the InChIKey of [1-(3-methyl-2-oxo-1H-imidazo[4,5-b]pyridin-7-yl)piperidin-3-yl] N-tert-butylcarbamate?
The InChIKey is AHTFWIPEFROGFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O3/c1-17(2,3)20-16(24)25-11-6-5-9-22(10-11)12-7-8-18-14-13(12)19-15(23)21(14)4/h7-8,11H,5-6,9-10H2,1-4H3,(H,19,23)(H,20,24).
What are the key properties of [1-(3-methyl-2-oxo-1H-imidazo[4,5-b]pyridin-7-yl)piperidin-3-yl] N-tert-butylcarbamate?
[1-(3-methyl-2-oxo-1H-imidazo[4,5-b]pyridin-7-yl)piperidin-3-yl] N-tert-butylcarbamate has a molecular weight of 347.42 g/mol, XLogP of 1.76, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-methyl-2-oxo-1H-imidazo[4,5-b]pyridin-7-yl)piperidin-3-yl] N-tert-butylcarbamate is sourced from PubChem (CID 70975673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).