tert-butyl N-[[5-(1H-imidazo[4,5-b]pyridin-2-yl)-4-propyl-1,2,4-triazol-3-yl]methyl]carbamate

C17H23N7O2 — CID 136722357

IUPACtert-butyl N-[[5-(1H-imidazo[4,5-b]pyridin-2-yl)-4-propyl-1,2,4-triazol-3-yl]methyl]carbamate
SMILESCCCn1c(CNC(=O)OC(C)(C)C)nnc1-c1nc2ncccc2[nH]1
InChIInChI=1S/C17H23N7O2/c1-5-9-24-12(10-19-16(25)26-17(2,3)4)22-23-15(24)14-20-11-7-6-8-18-13(11)21-14/h6-8H,5,9-10H2,1-4H3,(H,19,25)(H,18,20,21)
InChIKeyAHGYYNHYMHRVBZ-UHFFFAOYSA-N
MW357.42 g/mol
LogP2.65
Rot. Bonds5

About tert-butyl N-[[5-(1H-imidazo[4,5-b]pyridin-2-yl)-4-propyl-1,2,4-triazol-3-yl]methyl]carbamate

tert-butyl N-[[5-(1H-imidazo[4,5-b]pyridin-2-yl)-4-propyl-1,2,4-triazol-3-yl]methyl]carbamate (PubChem CID 136722357) has the molecular formula C17H23N7O2 and a molecular weight of 357.42 g/mol. Its IUPAC name is tert-butyl N-[[5-(1H-imidazo[4,5-b]pyridin-2-yl)-4-propyl-1,2,4-triazol-3-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[5-(1H-imidazo[4,5-b]pyridin-2-yl)-4-propyl-1,2,4-triazol-3-yl]methyl]carbamate
PubChem CID136722357
Molecular FormulaC17H23N7O2
Molecular Weight357.42 g/mol
Exact Mass357.19
IUPAC Nametert-butyl N-[[5-(1H-imidazo[4,5-b]pyridin-2-yl)-4-propyl-1,2,4-triazol-3-yl]methyl]carbamate
SMILESCCCn1c(CNC(=O)OC(C)(C)C)nnc1-c1nc2ncccc2[nH]1
InChIInChI=1S/C17H23N7O2/c1-5-9-24-12(10-19-16(25)26-17(2,3)4)22-23-15(24)14-20-11-7-6-8-18-13(11)21-14/h6-8H,5,9-10H2,1-4H3,(H,19,25)(H,18,20,21)
InChIKeyAHGYYNHYMHRVBZ-UHFFFAOYSA-N
XLogP2.65
TPSA110.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.42
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze tert-butyl N-[[5-(1H-imidazo[4,5-b]pyridin-2-yl)-4-propyl-1,2,4-triazol-3-yl]methyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[2-(1H-imidazo[4,5-b]pyridin-2-yl)ethyl]carbamate
CID 57366772
tert-butyl N-[[(3S)-1-(1H-imidazo[4,5-b]pyridin-2-yl)piperidin-3-yl]methyl]carbamate
CID 97174419
tert-butyl N-[(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]carbamate
CID 22308635
tert-butyl N-[[5-(1H-benzimidazol-2-yl)-1,3,4-oxadiazol-2-yl]methyl]carbamate
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tert-butyl N-[(4-fluoro-1H-benzimidazol-2-yl)methyl]carbamate
CID 118996720
tert-butyl N-[(2-ethyl-3-pyridinyl)methyl]carbamate
CID 118168082
tert-butyl N-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)methyl]carbamate
CID 52903782
methyl 2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1H-benzimidazole-4-carboxylate
CID 66850078
tert-butyl 4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidine-1-carboxylate
CID 22308646
CID 123368728
CID 123368728
tert-butyl N-[[3-(trifluoromethyl)-2-pyridinyl]methyl]carbamate
CID 155895576
tert-butyl N-[(2-methyltetrazol-5-yl)methyl]carbamate
CID 45092164

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[5-(1H-imidazo[4,5-b]pyridin-2-yl)-4-propyl-1,2,4-triazol-3-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[5-(1H-imidazo[4,5-b]pyridin-2-yl)-4-propyl-1,2,4-triazol-3-yl]methyl]carbamate (CID 136722357) is tert-butyl N-[[5-(1H-imidazo[4,5-b]pyridin-2-yl)-4-propyl-1,2,4-triazol-3-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[5-(1H-imidazo[4,5-b]pyridin-2-yl)-4-propyl-1,2,4-triazol-3-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[5-(1H-imidazo[4,5-b]pyridin-2-yl)-4-propyl-1,2,4-triazol-3-yl]methyl]carbamate is CCCn1c(CNC(=O)OC(C)(C)C)nnc1-c1nc2ncccc2[nH]1.
What is the InChIKey of tert-butyl N-[[5-(1H-imidazo[4,5-b]pyridin-2-yl)-4-propyl-1,2,4-triazol-3-yl]methyl]carbamate?
The InChIKey is AHGYYNHYMHRVBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N7O2/c1-5-9-24-12(10-19-16(25)26-17(2,3)4)22-23-15(24)14-20-11-7-6-8-18-13(11)21-14/h6-8H,5,9-10H2,1-4H3,(H,19,25)(H,18,20,21).
What are the key properties of tert-butyl N-[[5-(1H-imidazo[4,5-b]pyridin-2-yl)-4-propyl-1,2,4-triazol-3-yl]methyl]carbamate?
tert-butyl N-[[5-(1H-imidazo[4,5-b]pyridin-2-yl)-4-propyl-1,2,4-triazol-3-yl]methyl]carbamate has a molecular weight of 357.42 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[5-(1H-imidazo[4,5-b]pyridin-2-yl)-4-propyl-1,2,4-triazol-3-yl]methyl]carbamate is sourced from PubChem (CID 136722357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).