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

C27H36N6O3 — CID 144872009

IUPAC1,1-dimethyl-4-[[1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]furo[3,4-c]pyridin-3-one;ethane
SMILESCC.CC.CC1(C)OC(=O)c2c1ccnc2NC1CCCN(C(=O)c2ccccc2-n2nccn2)C1
InChIInChI=1S/C23H24N6O3.2C2H6/c1-23(2)17-9-10-24-20(19(17)22(31)32-23)27-15-6-5-13-28(14-15)21(30)16-7-3-4-8-18(16)29-25-11-12-26-29;2*1-2/h3-4,7-12,15H,5-6,13-14H2,1-2H3,(H,24,27);2*1-2H3
InChIKeyYUODUGZBHKPQRL-UHFFFAOYSA-N
MW492.62 g/mol
LogP4.84
Rot. Bonds4

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

1,1-dimethyl-4-[[1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]furo[3,4-c]pyridin-3-one;ethane (PubChem CID 144872009) has the molecular formula C27H36N6O3 and a molecular weight of 492.62 g/mol. Its IUPAC name is 1,1-dimethyl-4-[[1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]furo[3,4-c]pyridin-3-one;ethane.

Molecular Properties

Compound Name1,1-dimethyl-4-[[1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]furo[3,4-c]pyridin-3-one;ethane
PubChem CID144872009
Molecular FormulaC27H36N6O3
Molecular Weight492.62 g/mol
Exact Mass492.28
IUPAC Name1,1-dimethyl-4-[[1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]furo[3,4-c]pyridin-3-one;ethane
SMILESCC.CC.CC1(C)OC(=O)c2c1ccnc2NC1CCCN(C(=O)c2ccccc2-n2nccn2)C1
InChIInChI=1S/C23H24N6O3.2C2H6/c1-23(2)17-9-10-24-20(19(17)22(31)32-23)27-15-6-5-13-28(14-15)21(30)16-7-3-4-8-18(16)29-25-11-12-26-29;2*1-2/h3-4,7-12,15H,5-6,13-14H2,1-2H3,(H,24,27);2*1-2H3
InChIKeyYUODUGZBHKPQRL-UHFFFAOYSA-N
XLogP4.84
TPSA102.24 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.62
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1,1-dimethyl-4-[[1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]furo[3,4-c]pyridin-3-one;ethane 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-[[1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]furo[3,4-c]pyridin-3-one;ethane?
The IUPAC name of 1,1-dimethyl-4-[[1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]furo[3,4-c]pyridin-3-one;ethane (CID 144872009) is 1,1-dimethyl-4-[[1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]furo[3,4-c]pyridin-3-one;ethane.
What is the SMILES notation for 1,1-dimethyl-4-[[1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]furo[3,4-c]pyridin-3-one;ethane?
The canonical SMILES for 1,1-dimethyl-4-[[1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]furo[3,4-c]pyridin-3-one;ethane is CC.CC.CC1(C)OC(=O)c2c1ccnc2NC1CCCN(C(=O)c2ccccc2-n2nccn2)C1.
What is the InChIKey of 1,1-dimethyl-4-[[1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]furo[3,4-c]pyridin-3-one;ethane?
The InChIKey is YUODUGZBHKPQRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O3.2C2H6/c1-23(2)17-9-10-24-20(19(17)22(31)32-23)27-15-6-5-13-28(14-15)21(30)16-7-3-4-8-18(16)29-25-11-12-26-29;2*1-2/h3-4,7-12,15H,5-6,13-14H2,1-2H3,(H,24,27);2*1-2H3.
What are the key properties of 1,1-dimethyl-4-[[1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]furo[3,4-c]pyridin-3-one;ethane?
1,1-dimethyl-4-[[1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]furo[3,4-c]pyridin-3-one;ethane has a molecular weight of 492.62 g/mol, XLogP of 4.84, 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-[[1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]furo[3,4-c]pyridin-3-one;ethane is sourced from PubChem (CID 144872009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).