1-(1H-imidazo[4,5-b]pyridin-2-yl)-N-(4-methylpiperazin-1-yl)ethanimine

C13H18N6 — CID 1280814

IUPAC1-(1H-imidazo[4,5-b]pyridin-2-yl)-N-(4-methylpiperazin-1-yl)ethanimine
SMILESCC(=NN1CCN(C)CC1)c1nc2ncccc2[nH]1
InChIInChI=1S/C13H18N6/c1-10(17-19-8-6-18(2)7-9-19)12-15-11-4-3-5-14-13(11)16-12/h3-5H,6-9H2,1-2H3,(H,14,15,16)
InChIKeyQSKJCTWMXXUOAK-UHFFFAOYSA-N
MW258.33 g/mol
LogP0.93
Rot. Bonds2

About 1-(1H-imidazo[4,5-b]pyridin-2-yl)-N-(4-methylpiperazin-1-yl)ethanimine

1-(1H-imidazo[4,5-b]pyridin-2-yl)-N-(4-methylpiperazin-1-yl)ethanimine (PubChem CID 1280814) has the molecular formula C13H18N6 and a molecular weight of 258.33 g/mol. Its IUPAC name is 1-(1H-imidazo[4,5-b]pyridin-2-yl)-N-(4-methylpiperazin-1-yl)ethanimine.

Molecular Properties

Compound Name1-(1H-imidazo[4,5-b]pyridin-2-yl)-N-(4-methylpiperazin-1-yl)ethanimine
PubChem CID1280814
Molecular FormulaC13H18N6
Molecular Weight258.33 g/mol
Exact Mass258.16
IUPAC Name1-(1H-imidazo[4,5-b]pyridin-2-yl)-N-(4-methylpiperazin-1-yl)ethanimine
SMILESCC(=NN1CCN(C)CC1)c1nc2ncccc2[nH]1
InChIInChI=1S/C13H18N6/c1-10(17-19-8-6-18(2)7-9-19)12-15-11-4-3-5-14-13(11)16-12/h3-5H,6-9H2,1-2H3,(H,14,15,16)
InChIKeyQSKJCTWMXXUOAK-UHFFFAOYSA-N
XLogP0.93
TPSA60.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.33
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1H-imidazo[4,5-b]pyridin-2-yl-(4-methylpiperazin-1-yl)methanone
CID 10332110
2-[(4-methylpiperazin-1-yl)methyl]-1H-imidazo[4,5-b]pyridine
CID 14855666
N-[(E)-1-(1H-imidazo[4,5-b]pyridin-2-yl)ethylideneamino]morpholine-4-carbothioamide
CID 135427921
[(Z)-1-(1H-imidazo[4,5-b]pyridin-2-yl)ethylideneamino]thiourea
CID 136819282
1-[(E)-1-(1H-imidazo[4,5-b]pyridin-2-yl)ethylideneamino]-3-propan-2-ylthiourea
CID 135440007
1-butan-2-yl-3-[(E)-1-(1H-imidazo[4,5-b]pyridin-2-yl)ethylideneamino]thiourea
CID 135440008
1H-imidazo[4,5-b]pyridine-2-carbothioamide
CID 86130577
6-chloro-N-[(Z)-1-(1H-imidazo[4,5-b]pyridin-2-yl)ethylideneamino]pyridazin-3-amine
CID 170856356
1-butyl-3-[(E)-1-(1H-imidazo[4,5-b]pyridin-2-yl)ethylideneamino]thiourea
CID 135445972
CID 59368109
CID 59368109
3-(1H-imidazo[4,5-b]pyridin-2-yl)butan-2-one
CID 83857685
2-methyl-1H-imidazo[4,5-b]pyridine;sulfuric acid
CID 172837895

Frequently Asked Questions

What is the IUPAC name of 1-(1H-imidazo[4,5-b]pyridin-2-yl)-N-(4-methylpiperazin-1-yl)ethanimine?
The IUPAC name of 1-(1H-imidazo[4,5-b]pyridin-2-yl)-N-(4-methylpiperazin-1-yl)ethanimine (CID 1280814) is 1-(1H-imidazo[4,5-b]pyridin-2-yl)-N-(4-methylpiperazin-1-yl)ethanimine.
What is the SMILES notation for 1-(1H-imidazo[4,5-b]pyridin-2-yl)-N-(4-methylpiperazin-1-yl)ethanimine?
The canonical SMILES for 1-(1H-imidazo[4,5-b]pyridin-2-yl)-N-(4-methylpiperazin-1-yl)ethanimine is CC(=NN1CCN(C)CC1)c1nc2ncccc2[nH]1.
What is the InChIKey of 1-(1H-imidazo[4,5-b]pyridin-2-yl)-N-(4-methylpiperazin-1-yl)ethanimine?
The InChIKey is QSKJCTWMXXUOAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6/c1-10(17-19-8-6-18(2)7-9-19)12-15-11-4-3-5-14-13(11)16-12/h3-5H,6-9H2,1-2H3,(H,14,15,16).
What are the key properties of 1-(1H-imidazo[4,5-b]pyridin-2-yl)-N-(4-methylpiperazin-1-yl)ethanimine?
1-(1H-imidazo[4,5-b]pyridin-2-yl)-N-(4-methylpiperazin-1-yl)ethanimine has a molecular weight of 258.33 g/mol, XLogP of 0.93, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-imidazo[4,5-b]pyridin-2-yl)-N-(4-methylpiperazin-1-yl)ethanimine is sourced from PubChem (CID 1280814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).