1,1-dimethyl-4-[[6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]furo[3,4-c]pyridin-3-one

C24H26N6O3 — CID 123586705

IUPAC1,1-dimethyl-4-[[6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]furo[3,4-c]pyridin-3-one
SMILESCC1CCC(Nc2nccc3c2C(=O)OC3(C)C)CN1C(=O)c1ccccc1-n1nccn1
InChIInChI=1S/C24H26N6O3/c1-15-8-9-16(28-21-20-18(10-11-25-21)24(2,3)33-23(20)32)14-29(15)22(31)17-6-4-5-7-19(17)30-26-12-13-27-30/h4-7,10-13,15-16H,8-9,14H2,1-3H3,(H,25,28)
InChIKeyUYQFIWNARBGORU-UHFFFAOYSA-N
MW446.51 g/mol
LogP3.17
Rot. Bonds4

About 1,1-dimethyl-4-[[6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]furo[3,4-c]pyridin-3-one

1,1-dimethyl-4-[[6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]furo[3,4-c]pyridin-3-one (PubChem CID 123586705) has the molecular formula C24H26N6O3 and a molecular weight of 446.51 g/mol. Its IUPAC name is 1,1-dimethyl-4-[[6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]furo[3,4-c]pyridin-3-one.

Molecular Properties

Compound Name1,1-dimethyl-4-[[6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]furo[3,4-c]pyridin-3-one
PubChem CID123586705
Molecular FormulaC24H26N6O3
Molecular Weight446.51 g/mol
Exact Mass446.21
IUPAC Name1,1-dimethyl-4-[[6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]furo[3,4-c]pyridin-3-one
SMILESCC1CCC(Nc2nccc3c2C(=O)OC3(C)C)CN1C(=O)c1ccccc1-n1nccn1
InChIInChI=1S/C24H26N6O3/c1-15-8-9-16(28-21-20-18(10-11-25-21)24(2,3)33-23(20)32)14-29(15)22(31)17-6-4-5-7-19(17)30-26-12-13-27-30/h4-7,10-13,15-16H,8-9,14H2,1-3H3,(H,25,28)
InChIKeyUYQFIWNARBGORU-UHFFFAOYSA-N
XLogP3.17
TPSA102.24 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.51
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1,1-dimethyl-4-[[6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]furo[3,4-c]pyridin-3-one with MolForge

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Related Compounds

1'-oxo-N-(2-phenyltriazol-4-yl)spiro[cyclohexane-4,3'-furo[3,4-c]pyridine]-1-carboxamide
CID 11349780
methyl 2-[[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]pyridine-3-carboxylate
CID 118180165
Methyl 5-methyl-4-[2-methyl-5-(methylcarbamoyl)anilino]pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate
CID 24755185
Methyl 4-(5-carbamoyl-2-methylanilino)-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate
CID 24755187
1-[4-[(1-methyltriazol-4-yl)methoxymethyl]-2-pyridinyl]-3-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)urea
CID 155548654
Methyl 4-[[5-[(ethylamino)carbonyl]-2-methylphenyl]amino]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate
CID 24755188
US9737542, Example 111
CID 118008639
US9556190, Example 41
CID 118175273
US9556190, Example 40
CID 118175274
US9556190, Example 43
CID 118175285
US9556190, Example 42
CID 118175286
US9556190, Example 39
CID 118192293

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-4-[[6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]furo[3,4-c]pyridin-3-one?
The IUPAC name of 1,1-dimethyl-4-[[6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]furo[3,4-c]pyridin-3-one (CID 123586705) is 1,1-dimethyl-4-[[6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]furo[3,4-c]pyridin-3-one.
What is the SMILES notation for 1,1-dimethyl-4-[[6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]furo[3,4-c]pyridin-3-one?
The canonical SMILES for 1,1-dimethyl-4-[[6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]furo[3,4-c]pyridin-3-one is CC1CCC(Nc2nccc3c2C(=O)OC3(C)C)CN1C(=O)c1ccccc1-n1nccn1.
What is the InChIKey of 1,1-dimethyl-4-[[6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]furo[3,4-c]pyridin-3-one?
The InChIKey is UYQFIWNARBGORU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O3/c1-15-8-9-16(28-21-20-18(10-11-25-21)24(2,3)33-23(20)32)14-29(15)22(31)17-6-4-5-7-19(17)30-26-12-13-27-30/h4-7,10-13,15-16H,8-9,14H2,1-3H3,(H,25,28).
What are the key properties of 1,1-dimethyl-4-[[6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]furo[3,4-c]pyridin-3-one?
1,1-dimethyl-4-[[6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]furo[3,4-c]pyridin-3-one has a molecular weight of 446.51 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-4-[[6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]furo[3,4-c]pyridin-3-one is sourced from PubChem (CID 123586705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).