1,3-bis(piperidin-1-ylmethyl)imidazo[4,5-b]pyridin-2-one;oxalic acid

C20H29N5O5 — CID 3070169

IUPAC1,3-bis(piperidin-1-ylmethyl)imidazo[4,5-b]pyridin-2-one;oxalic acid
SMILESO=C(O)C(=O)O.O=c1n(CN2CCCCC2)c2cccnc2n1CN1CCCCC1
InChIInChI=1S/C18H27N5O.C2H2O4/c24-18-22(14-20-10-3-1-4-11-20)16-8-7-9-19-17(16)23(18)15-21-12-5-2-6-13-21;3-1(4)2(5)6/h7-9H,1-6,10-15H2;(H,3,4)(H,5,6)
InChIKeyFCCLYBXJIOXPII-UHFFFAOYSA-N
MW419.48 g/mol
LogP1.24
Rot. Bonds4

About 1,3-bis(piperidin-1-ylmethyl)imidazo[4,5-b]pyridin-2-one;oxalic acid

1,3-bis(piperidin-1-ylmethyl)imidazo[4,5-b]pyridin-2-one;oxalic acid (PubChem CID 3070169) has the molecular formula C20H29N5O5 and a molecular weight of 419.48 g/mol. Its IUPAC name is 1,3-bis(piperidin-1-ylmethyl)imidazo[4,5-b]pyridin-2-one;oxalic acid.

Molecular Properties

Compound Name1,3-bis(piperidin-1-ylmethyl)imidazo[4,5-b]pyridin-2-one;oxalic acid
PubChem CID3070169
Molecular FormulaC20H29N5O5
Molecular Weight419.48 g/mol
Exact Mass419.22
IUPAC Name1,3-bis(piperidin-1-ylmethyl)imidazo[4,5-b]pyridin-2-one;oxalic acid
SMILESO=C(O)C(=O)O.O=c1n(CN2CCCCC2)c2cccnc2n1CN1CCCCC1
InChIInChI=1S/C18H27N5O.C2H2O4/c24-18-22(14-20-10-3-1-4-11-20)16-8-7-9-19-17(16)23(18)15-21-12-5-2-6-13-21;3-1(4)2(5)6/h7-9H,1-6,10-15H2;(H,3,4)(H,5,6)
InChIKeyFCCLYBXJIOXPII-UHFFFAOYSA-N
XLogP1.24
TPSA120.90 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

4-Imidazo[1,2-a]pyridin-2-ylmethyl-piperazine-1-carboxylic acid ethyl ester
CID 651683
2H-Imidazo(4,5-b)pyridin-2-one, 1,3-dihydro-1,3-bis(4-morpholinylmethyl)-, ethanedioate (1:1)
CID 3070167
2H-Imidazo(4,5-b)pyridin-2-one, 1,3-dihydro-3-acetyl-1-(4-morpholinylmethyl)-, ethanedioate (1:1)
CID 3070173
1-Piperazinepropanamine, N,N-diethyl-4-(2-pyridinyl)-, ethanedioate (1:3)
CID 24842249
Piperazine, 1-(2-pyridinyl)-4-(3-(1-pyrrolidinyl)propyl)-, ethanedioate (1:3)
CID 24842287
1-Piperazineethanamine, N,N-bis(1-methylethyl)-4-(2-pyridinyl)-, ethanedioate (1:3)
CID 44147323
tert-butyl 4-{2-oxo-1H,2H,3H-imidazo[4,5-b]pyridin-1-yl}piperidine-1-carboxylate
CID 22293220
3-(4-Fluorophenyl)-1-[2-oxo-2-(piperidin-1-YL)ethyl]-1H,2H,3H-imidazo[4,5-B]pyridin-2-one
CID 71841318
3-[1-(Cyclopent-3-ene-1-carbonyl)piperidin-3-YL]-1-methyl-1H,2H,3H-imidazo[4,5-B]pyridin-2-one
CID 91909918
3-[(3S)-1-(cyclopropanecarbonyl)piperidin-3-yl]-1-methylimidazo[4,5-b]pyridin-2-one
CID 110197474
1-Methyl-3-(1-propanoylpiperidin-3-YL)-1H,2H,3H-imidazo[4,5-B]pyridin-2-one
CID 110197475
3-[(3S)-1-acetylpiperidin-3-yl]-1-methylimidazo[4,5-b]pyridin-2-one
CID 110197476

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(piperidin-1-ylmethyl)imidazo[4,5-b]pyridin-2-one;oxalic acid?
The IUPAC name of 1,3-bis(piperidin-1-ylmethyl)imidazo[4,5-b]pyridin-2-one;oxalic acid (CID 3070169) is 1,3-bis(piperidin-1-ylmethyl)imidazo[4,5-b]pyridin-2-one;oxalic acid.
What is the SMILES notation for 1,3-bis(piperidin-1-ylmethyl)imidazo[4,5-b]pyridin-2-one;oxalic acid?
The canonical SMILES for 1,3-bis(piperidin-1-ylmethyl)imidazo[4,5-b]pyridin-2-one;oxalic acid is O=C(O)C(=O)O.O=c1n(CN2CCCCC2)c2cccnc2n1CN1CCCCC1.
What is the InChIKey of 1,3-bis(piperidin-1-ylmethyl)imidazo[4,5-b]pyridin-2-one;oxalic acid?
The InChIKey is FCCLYBXJIOXPII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O.C2H2O4/c24-18-22(14-20-10-3-1-4-11-20)16-8-7-9-19-17(16)23(18)15-21-12-5-2-6-13-21;3-1(4)2(5)6/h7-9H,1-6,10-15H2;(H,3,4)(H,5,6).
What are the key properties of 1,3-bis(piperidin-1-ylmethyl)imidazo[4,5-b]pyridin-2-one;oxalic acid?
1,3-bis(piperidin-1-ylmethyl)imidazo[4,5-b]pyridin-2-one;oxalic acid has a molecular weight of 419.48 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(piperidin-1-ylmethyl)imidazo[4,5-b]pyridin-2-one;oxalic acid is sourced from PubChem (CID 3070169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).