2-(1,4-diazepan-1-yl)-1H-imidazo[4,5-b]pyridine

C11H15N5 — CID 71637411

IUPAC2-(1,4-diazepan-1-yl)-1H-imidazo[4,5-b]pyridine
SMILESc1cnc2nc(N3CCCNCC3)[nH]c2c1
InChIInChI=1S/C11H15N5/c1-3-9-10(13-5-1)15-11(14-9)16-7-2-4-12-6-8-16/h1,3,5,12H,2,4,6-8H2,(H,13,14,15)
InChIKeySOGZXJZCVSCQEO-UHFFFAOYSA-N
MW217.28 g/mol
LogP0.76
Rot. Bonds1

About 2-(1,4-diazepan-1-yl)-1H-imidazo[4,5-b]pyridine

2-(1,4-diazepan-1-yl)-1H-imidazo[4,5-b]pyridine (PubChem CID 71637411) has the molecular formula C11H15N5 and a molecular weight of 217.28 g/mol. Its IUPAC name is 2-(1,4-diazepan-1-yl)-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(1,4-diazepan-1-yl)-1H-imidazo[4,5-b]pyridine
PubChem CID71637411
Molecular FormulaC11H15N5
Molecular Weight217.28 g/mol
Exact Mass217.13
IUPAC Name2-(1,4-diazepan-1-yl)-1H-imidazo[4,5-b]pyridine
SMILESc1cnc2nc(N3CCCNCC3)[nH]c2c1
InChIInChI=1S/C11H15N5/c1-3-9-10(13-5-1)15-11(14-9)16-7-2-4-12-6-8-16/h1,3,5,12H,2,4,6-8H2,(H,13,14,15)
InChIKeySOGZXJZCVSCQEO-UHFFFAOYSA-N
XLogP0.76
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.28
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,4-diazepan-1-yl)-4-propan-2-yl-1H-benzimidazole
CID 84637470
2-(1,4-diazepan-1-yl)-[1,3]oxazolo[4,5-b]pyridine
CID 83849284
2-(1,4-diazepan-1-yl)-6-methyl-1H-benzimidazole
CID 71022581
6-(1,4-diazepan-1-yl)quinoline
CID 62635992
[2-(1,4-diazepan-1-yl)-3-pyridinyl]methanamine
CID 170875415
N-[(3R)-piperidin-3-yl]-1H-imidazo[4,5-b]pyridin-2-amine;hydrochloride
CID 71637328
2-(1,4-diazepan-1-yl)pyridine-3-carboxamide
CID 16793315
2-piperazin-1-yl-[1,3]thiazolo[4,5-b]pyridine
CID 70274211
2-(1,4-diazepan-1-yl)pyridine-3-carboxamide;dihydrochloride
CID 155943283
tert-butyl N-[[(3S)-1-(1H-imidazo[4,5-b]pyridin-2-yl)piperidin-3-yl]methyl]carbamate
CID 97174419
N-piperidin-4-yl-1H-imidazo[4,5-b]pyridin-2-amine;hydrochloride
CID 71637244
N-methyl-N-piperidin-4-yl-1H-imidazo[4,5-b]pyridin-2-amine;hydrochloride
CID 71641501

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-diazepan-1-yl)-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 2-(1,4-diazepan-1-yl)-1H-imidazo[4,5-b]pyridine (CID 71637411) is 2-(1,4-diazepan-1-yl)-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(1,4-diazepan-1-yl)-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(1,4-diazepan-1-yl)-1H-imidazo[4,5-b]pyridine is c1cnc2nc(N3CCCNCC3)[nH]c2c1.
What is the InChIKey of 2-(1,4-diazepan-1-yl)-1H-imidazo[4,5-b]pyridine?
The InChIKey is SOGZXJZCVSCQEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5/c1-3-9-10(13-5-1)15-11(14-9)16-7-2-4-12-6-8-16/h1,3,5,12H,2,4,6-8H2,(H,13,14,15).
What are the key properties of 2-(1,4-diazepan-1-yl)-1H-imidazo[4,5-b]pyridine?
2-(1,4-diazepan-1-yl)-1H-imidazo[4,5-b]pyridine has a molecular weight of 217.28 g/mol, XLogP of 0.76, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-diazepan-1-yl)-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 71637411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).