[5-[[2-[[1-(2-aminoethyl)piperidin-4-yl]methyl]imidazo[4,5-b]pyridin-3-yl]methyl]furan-2-yl]methanol

C20H27N5O2 — CID 22343500

IUPAC[5-[[2-[[1-(2-aminoethyl)piperidin-4-yl]methyl]imidazo[4,5-b]pyridin-3-yl]methyl]furan-2-yl]methanol
SMILESNCCN1CCC(Cc2nc3cccnc3n2Cc2ccc(CO)o2)CC1
InChIInChI=1S/C20H27N5O2/c21-7-11-24-9-5-15(6-10-24)12-19-23-18-2-1-8-22-20(18)25(19)13-16-3-4-17(14-26)27-16/h1-4,8,15,26H,5-7,9-14,21H2
InChIKeyMCEKNKBTELQKLB-UHFFFAOYSA-N
MW369.47 g/mol
LogP1.78
Rot. Bonds7

About [5-[[2-[[1-(2-aminoethyl)piperidin-4-yl]methyl]imidazo[4,5-b]pyridin-3-yl]methyl]furan-2-yl]methanol

[5-[[2-[[1-(2-aminoethyl)piperidin-4-yl]methyl]imidazo[4,5-b]pyridin-3-yl]methyl]furan-2-yl]methanol (PubChem CID 22343500) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is [5-[[2-[[1-(2-aminoethyl)piperidin-4-yl]methyl]imidazo[4,5-b]pyridin-3-yl]methyl]furan-2-yl]methanol.

Molecular Properties

Compound Name[5-[[2-[[1-(2-aminoethyl)piperidin-4-yl]methyl]imidazo[4,5-b]pyridin-3-yl]methyl]furan-2-yl]methanol
PubChem CID22343500
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC Name[5-[[2-[[1-(2-aminoethyl)piperidin-4-yl]methyl]imidazo[4,5-b]pyridin-3-yl]methyl]furan-2-yl]methanol
SMILESNCCN1CCC(Cc2nc3cccnc3n2Cc2ccc(CO)o2)CC1
InChIInChI=1S/C20H27N5O2/c21-7-11-24-9-5-15(6-10-24)12-19-23-18-2-1-8-22-20(18)25(19)13-16-3-4-17(14-26)27-16/h1-4,8,15,26H,5-7,9-14,21H2
InChIKeyMCEKNKBTELQKLB-UHFFFAOYSA-N
XLogP1.78
TPSA93.34 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [5-[[2-[[1-(2-aminoethyl)piperidin-4-yl]methyl]imidazo[4,5-b]pyridin-3-yl]methyl]furan-2-yl]methanol with MolForge

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Related Compounds

[5-[[2-[[1-[2-(pyridazin-3-ylamino)ethyl]piperidin-4-yl]methyl]benzimidazol-1-yl]methyl]furan-2-yl]methanol
CID 19734419
2-[(1-benzylpiperidin-4-yl)methyl]-3-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine
CID 14013366
3-[2-[4-[[1-[[5-(hydroxymethyl)furan-2-yl]methyl]benzimidazol-2-yl]methyl]piperidin-1-yl]ethylamino]-1H-pyridazin-6-one
CID 54126675
3-[2-(oxan-4-ylmethyl)imidazo[4,5-b]pyridin-3-yl]propan-1-ol
CID 117161472
3-(furan-2-ylmethyl)-2-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine;oxalic acid
CID 159440701
2-[(1-ethylpyrrolidin-3-yl)methyl]-3-propylimidazo[4,5-b]pyridine
CID 117161335
3-[(2-fluorophenyl)methyl]-2-(oxolan-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117161305
3-[2-(thiolan-3-ylmethyl)imidazo[4,5-b]pyridin-3-yl]propan-1-ol
CID 117161041
N-methyl-3-[[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]methyl]pyrrolidine-1-carboxamide
CID 71835939
3-methyl-2-[(1-propan-2-ylpiperidin-4-yl)methyl]imidazo[4,5-b]pyridine
CID 117161667
2-[2-(oxolan-2-ylmethyl)imidazo[4,5-b]pyridin-3-yl]ethanol
CID 117163159
(E)-but-2-enedioic acid;2-(piperidin-4-ylmethyl)-3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridine
CID 157474822

Frequently Asked Questions

What is the IUPAC name of [5-[[2-[[1-(2-aminoethyl)piperidin-4-yl]methyl]imidazo[4,5-b]pyridin-3-yl]methyl]furan-2-yl]methanol?
The IUPAC name of [5-[[2-[[1-(2-aminoethyl)piperidin-4-yl]methyl]imidazo[4,5-b]pyridin-3-yl]methyl]furan-2-yl]methanol (CID 22343500) is [5-[[2-[[1-(2-aminoethyl)piperidin-4-yl]methyl]imidazo[4,5-b]pyridin-3-yl]methyl]furan-2-yl]methanol.
What is the SMILES notation for [5-[[2-[[1-(2-aminoethyl)piperidin-4-yl]methyl]imidazo[4,5-b]pyridin-3-yl]methyl]furan-2-yl]methanol?
The canonical SMILES for [5-[[2-[[1-(2-aminoethyl)piperidin-4-yl]methyl]imidazo[4,5-b]pyridin-3-yl]methyl]furan-2-yl]methanol is NCCN1CCC(Cc2nc3cccnc3n2Cc2ccc(CO)o2)CC1.
What is the InChIKey of [5-[[2-[[1-(2-aminoethyl)piperidin-4-yl]methyl]imidazo[4,5-b]pyridin-3-yl]methyl]furan-2-yl]methanol?
The InChIKey is MCEKNKBTELQKLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2/c21-7-11-24-9-5-15(6-10-24)12-19-23-18-2-1-8-22-20(18)25(19)13-16-3-4-17(14-26)27-16/h1-4,8,15,26H,5-7,9-14,21H2.
What are the key properties of [5-[[2-[[1-(2-aminoethyl)piperidin-4-yl]methyl]imidazo[4,5-b]pyridin-3-yl]methyl]furan-2-yl]methanol?
[5-[[2-[[1-(2-aminoethyl)piperidin-4-yl]methyl]imidazo[4,5-b]pyridin-3-yl]methyl]furan-2-yl]methanol has a molecular weight of 369.47 g/mol, XLogP of 1.78, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[2-[[1-(2-aminoethyl)piperidin-4-yl]methyl]imidazo[4,5-b]pyridin-3-yl]methyl]furan-2-yl]methanol is sourced from PubChem (CID 22343500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).