2-[2-[2-[(1-benzylpiperidin-4-yl)amino]imidazo[4,5-b]pyridin-3-yl]ethylamino]acetic acid

C22H28N6O2 — CID 23042003

IUPAC2-[2-[2-[(1-benzylpiperidin-4-yl)amino]imidazo[4,5-b]pyridin-3-yl]ethylamino]acetic acid
SMILESO=C(O)CNCCn1c(NC2CCN(Cc3ccccc3)CC2)nc2cccnc21
InChIInChI=1S/C22H28N6O2/c29-20(30)15-23-11-14-28-21-19(7-4-10-24-21)26-22(28)25-18-8-12-27(13-9-18)16-17-5-2-1-3-6-17/h1-7,10,18,23H,8-9,11-16H2,(H,25,26)(H,29,30)
InChIKeyFZAZCDSONNWDJV-UHFFFAOYSA-N
MW408.51 g/mol
LogP2.18
Rot. Bonds9

About 2-[2-[2-[(1-benzylpiperidin-4-yl)amino]imidazo[4,5-b]pyridin-3-yl]ethylamino]acetic acid

2-[2-[2-[(1-benzylpiperidin-4-yl)amino]imidazo[4,5-b]pyridin-3-yl]ethylamino]acetic acid (PubChem CID 23042003) has the molecular formula C22H28N6O2 and a molecular weight of 408.51 g/mol. Its IUPAC name is 2-[2-[2-[(1-benzylpiperidin-4-yl)amino]imidazo[4,5-b]pyridin-3-yl]ethylamino]acetic acid.

Molecular Properties

Compound Name2-[2-[2-[(1-benzylpiperidin-4-yl)amino]imidazo[4,5-b]pyridin-3-yl]ethylamino]acetic acid
PubChem CID23042003
Molecular FormulaC22H28N6O2
Molecular Weight408.51 g/mol
Exact Mass408.23
IUPAC Name2-[2-[2-[(1-benzylpiperidin-4-yl)amino]imidazo[4,5-b]pyridin-3-yl]ethylamino]acetic acid
SMILESO=C(O)CNCCn1c(NC2CCN(Cc3ccccc3)CC2)nc2cccnc21
InChIInChI=1S/C22H28N6O2/c29-20(30)15-23-11-14-28-21-19(7-4-10-24-21)26-22(28)25-18-8-12-27(13-9-18)16-17-5-2-1-3-6-17/h1-7,10,18,23H,8-9,11-16H2,(H,25,26)(H,29,30)
InChIKeyFZAZCDSONNWDJV-UHFFFAOYSA-N
XLogP2.18
TPSA95.31 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.51
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-[(1-benzylpiperidin-4-yl)amino]imidazo[4,5-b]pyridin-3-yl]ethyl]butanamide
CID 57116659
1-[4-[(3-benzylimidazo[4,5-b]pyridin-2-yl)amino]piperidin-1-yl]-3-phenoxypropan-2-ol
CID 23345144
1-(4-fluorophenyl)-4-[4-[[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]amino]piperidin-1-yl]butan-1-one
CID 12891588
N-(1-benzylpiperidin-4-yl)-4-(2-methylpropyl)-3-oxopyrido[2,3-b]pyrazine-2-carboxamide
CID 53189852
2-(4-benzylpiperazine-1-carbonyl)-4-(2-phenylethyl)pyrido[2,3-b]pyrazin-3-one
CID 134802710
3-(2-ethoxyethyl)-N-(1-prop-2-enylpiperidin-4-yl)imidazo[4,5-b]pyridin-2-amine;oxalate
CID 23041974
4-[[3-[(2-methyl-1,3-oxazol-5-yl)methyl]imidazo[4,5-b]pyridin-2-yl]amino]piperidine-1-carboxylic acid
CID 139831398
2-[(1-benzylpiperidin-4-yl)amino]-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide
CID 71495429
N-(1-benzylpiperidin-4-yl)-N'-(2-chloro-3-pyridinyl)oxamide
CID 108520507
2-amino-N-(1-benzylpiperidin-4-yl)pyridine-3-carboxamide
CID 110451976
2-[(1-benzylpiperidin-4-yl)methyl]-3-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine
CID 14013366
1-[(4-fluorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]benzimidazol-2-amine;hydrochloride
CID 45260440

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[(1-benzylpiperidin-4-yl)amino]imidazo[4,5-b]pyridin-3-yl]ethylamino]acetic acid?
The IUPAC name of 2-[2-[2-[(1-benzylpiperidin-4-yl)amino]imidazo[4,5-b]pyridin-3-yl]ethylamino]acetic acid (CID 23042003) is 2-[2-[2-[(1-benzylpiperidin-4-yl)amino]imidazo[4,5-b]pyridin-3-yl]ethylamino]acetic acid.
What is the SMILES notation for 2-[2-[2-[(1-benzylpiperidin-4-yl)amino]imidazo[4,5-b]pyridin-3-yl]ethylamino]acetic acid?
The canonical SMILES for 2-[2-[2-[(1-benzylpiperidin-4-yl)amino]imidazo[4,5-b]pyridin-3-yl]ethylamino]acetic acid is O=C(O)CNCCn1c(NC2CCN(Cc3ccccc3)CC2)nc2cccnc21.
What is the InChIKey of 2-[2-[2-[(1-benzylpiperidin-4-yl)amino]imidazo[4,5-b]pyridin-3-yl]ethylamino]acetic acid?
The InChIKey is FZAZCDSONNWDJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O2/c29-20(30)15-23-11-14-28-21-19(7-4-10-24-21)26-22(28)25-18-8-12-27(13-9-18)16-17-5-2-1-3-6-17/h1-7,10,18,23H,8-9,11-16H2,(H,25,26)(H,29,30).
What are the key properties of 2-[2-[2-[(1-benzylpiperidin-4-yl)amino]imidazo[4,5-b]pyridin-3-yl]ethylamino]acetic acid?
2-[2-[2-[(1-benzylpiperidin-4-yl)amino]imidazo[4,5-b]pyridin-3-yl]ethylamino]acetic acid has a molecular weight of 408.51 g/mol, XLogP of 2.18, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[(1-benzylpiperidin-4-yl)amino]imidazo[4,5-b]pyridin-3-yl]ethylamino]acetic acid is sourced from PubChem (CID 23042003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).