tert-butyl (3R)-3-[(1H-imidazo[4,5-b]pyridin-2-ylamino)methyl]piperidine-1-carboxylate

C17H25N5O2 — CID 97172312

IUPACtert-butyl (3R)-3-[(1H-imidazo[4,5-b]pyridin-2-ylamino)methyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@H](CNc2nc3ncccc3[nH]2)C1
InChIInChI=1S/C17H25N5O2/c1-17(2,3)24-16(23)22-9-5-6-12(11-22)10-19-15-20-13-7-4-8-18-14(13)21-15/h4,7-8,12H,5-6,9-11H2,1-3H3,(H2,18,19,20,21)/t12-/m1/s1
InChIKeyNAGOKHQBCAULAP-GFCCVEGCSA-N
MW331.42 g/mol
LogP3.02
Rot. Bonds3

About tert-butyl (3R)-3-[(1H-imidazo[4,5-b]pyridin-2-ylamino)methyl]piperidine-1-carboxylate

tert-butyl (3R)-3-[(1H-imidazo[4,5-b]pyridin-2-ylamino)methyl]piperidine-1-carboxylate (PubChem CID 97172312) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is tert-butyl (3R)-3-[(1H-imidazo[4,5-b]pyridin-2-ylamino)methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R)-3-[(1H-imidazo[4,5-b]pyridin-2-ylamino)methyl]piperidine-1-carboxylate
PubChem CID97172312
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC Nametert-butyl (3R)-3-[(1H-imidazo[4,5-b]pyridin-2-ylamino)methyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@H](CNc2nc3ncccc3[nH]2)C1
InChIInChI=1S/C17H25N5O2/c1-17(2,3)24-16(23)22-9-5-6-12(11-22)10-19-15-20-13-7-4-8-18-14(13)21-15/h4,7-8,12H,5-6,9-11H2,1-3H3,(H2,18,19,20,21)/t12-/m1/s1
InChIKeyNAGOKHQBCAULAP-GFCCVEGCSA-N
XLogP3.02
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze tert-butyl (3R)-3-[(1H-imidazo[4,5-b]pyridin-2-ylamino)methyl]piperidine-1-carboxylate 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

tert-butyl (3S)-3-[3-(1H-imidazo[4,5-b]pyridin-2-yloxy)propyl]piperidine-1-carboxylate
CID 97172067
tert-butyl 3-[[(3-hydroxy-2-pyridinyl)amino]methyl]piperidine-1-carboxylate
CID 71631128
tert-butyl 3-[[(6-nitro-1H-benzimidazol-2-yl)amino]methyl]piperidine-1-carboxylate
CID 71631132
tert-butyl N-[[(3S)-1-(1H-imidazo[4,5-b]pyridin-2-yl)piperidin-3-yl]methyl]carbamate
CID 97174419
tert-butyl (3R)-3-[[(3-nitro-2-pyridinyl)amino]methyl]piperidine-1-carboxylate
CID 86318245
tert-butyl (3R)-3-[[(4-methylpyrimidin-2-yl)amino]methyl]piperidine-1-carboxylate
CID 95732016
tert-butyl 4-(1H-imidazo[4,5-b]pyridin-2-yloxymethyl)piperidine-1-carboxylate
CID 71630338
tert-butyl 3-[1H-imidazo[4,5-b]pyridin-2-yl(methyl)amino]pyrrolidine-1-carboxylate
CID 71647129
tert-butyl 3-[[(2,6-dimethyl-3-pyridinyl)amino]methyl]piperidine-1-carboxylate
CID 103759258
tert-butyl (3S)-3-(pyrimidin-2-ylmethyl)piperidine-1-carboxylate
CID 129390877
tert-butyl (3R)-3-[(quinoxalin-2-ylamino)methyl]piperidine-1-carboxylate
CID 95929019
tert-butyl 4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidine-1-carboxylate
CID 22308646

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-[(1H-imidazo[4,5-b]pyridin-2-ylamino)methyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl (3R)-3-[(1H-imidazo[4,5-b]pyridin-2-ylamino)methyl]piperidine-1-carboxylate (CID 97172312) is tert-butyl (3R)-3-[(1H-imidazo[4,5-b]pyridin-2-ylamino)methyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R)-3-[(1H-imidazo[4,5-b]pyridin-2-ylamino)methyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R)-3-[(1H-imidazo[4,5-b]pyridin-2-ylamino)methyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC[C@H](CNc2nc3ncccc3[nH]2)C1.
What is the InChIKey of tert-butyl (3R)-3-[(1H-imidazo[4,5-b]pyridin-2-ylamino)methyl]piperidine-1-carboxylate?
The InChIKey is NAGOKHQBCAULAP-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H25N5O2/c1-17(2,3)24-16(23)22-9-5-6-12(11-22)10-19-15-20-13-7-4-8-18-14(13)21-15/h4,7-8,12H,5-6,9-11H2,1-3H3,(H2,18,19,20,21)/t12-/m1/s1.
What are the key properties of tert-butyl (3R)-3-[(1H-imidazo[4,5-b]pyridin-2-ylamino)methyl]piperidine-1-carboxylate?
tert-butyl (3R)-3-[(1H-imidazo[4,5-b]pyridin-2-ylamino)methyl]piperidine-1-carboxylate has a molecular weight of 331.42 g/mol, XLogP of 3.02, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-3-[(1H-imidazo[4,5-b]pyridin-2-ylamino)methyl]piperidine-1-carboxylate is sourced from PubChem (CID 97172312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).