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

C22H22N6O3 — CID 123533666

IUPAC4-[[6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]-1H-furo[3,4-c]pyridin-3-one
SMILESCC1CCC(Nc2nccc3c2C(=O)OC3)CN1C(=O)c1ccccc1-n1nccn1
InChIInChI=1S/C22H22N6O3/c1-14-6-7-16(26-20-19-15(8-9-23-20)13-31-22(19)30)12-27(14)21(29)17-4-2-3-5-18(17)28-24-10-11-25-28/h2-5,8-11,14,16H,6-7,12-13H2,1H3,(H,23,26)
InChIKeyBSMZSFLIBGPCBQ-UHFFFAOYSA-N
MW418.46 g/mol
LogP2.44
Rot. Bonds4

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

4-[[6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]-1H-furo[3,4-c]pyridin-3-one (PubChem CID 123533666) has the molecular formula C22H22N6O3 and a molecular weight of 418.46 g/mol. Its IUPAC name is 4-[[6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]-1H-furo[3,4-c]pyridin-3-one.

Molecular Properties

Compound Name4-[[6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]-1H-furo[3,4-c]pyridin-3-one
PubChem CID123533666
Molecular FormulaC22H22N6O3
Molecular Weight418.46 g/mol
Exact Mass418.18
IUPAC Name4-[[6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]-1H-furo[3,4-c]pyridin-3-one
SMILESCC1CCC(Nc2nccc3c2C(=O)OC3)CN1C(=O)c1ccccc1-n1nccn1
InChIInChI=1S/C22H22N6O3/c1-14-6-7-16(26-20-19-15(8-9-23-20)13-31-22(19)30)12-27(14)21(29)17-4-2-3-5-18(17)28-24-10-11-25-28/h2-5,8-11,14,16H,6-7,12-13H2,1H3,(H,23,26)
InChIKeyBSMZSFLIBGPCBQ-UHFFFAOYSA-N
XLogP2.44
TPSA102.24 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.46
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Related Compounds

Ethyl 4-[5-(methoxycarbamoyl)-2-methylanilino]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate
CID 16726210
methyl 2-[[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]pyridine-3-carboxylate
CID 118180165
5-Isopropyl-4-(3-methoxycarbamoyl-phenylamino)-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid ethyl ester
CID 10386095
4-[[1-(Phenylmethyl)-1h-indazol-5-yl]amino]-5-ethylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid ethyl ester
CID 23589545
Ethyl 4-[(1-benzylindazol-5-yl)amino]-5-propylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate
CID 23589555
4-Benzylamino-5-ethyl-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid ethyl ester
CID 44403081
Ethyl 4-[5-[(3-fluoro-5-morpholin-4-ylbenzoyl)amino]-2-methylanilino]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate
CID 44449859
Ethyl 4-[(1-benzylindazol-5-yl)amino]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate
CID 23646541
Methyl 5-methyl-4-[2-methyl-5-(methylcarbamoyl)anilino]pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate
CID 24755185
Methyl 4-[5-(methoxycarbamoyl)-2-methylanilino]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate
CID 24755186
Methyl 4-(5-carbamoyl-2-methylanilino)-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate
CID 24755187
Methyl 4-[5-(ethoxycarbamoyl)-2-methylanilino]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate
CID 24755189

Frequently Asked Questions

What is the IUPAC name of 4-[[6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]-1H-furo[3,4-c]pyridin-3-one?
The IUPAC name of 4-[[6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]-1H-furo[3,4-c]pyridin-3-one (CID 123533666) is 4-[[6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]-1H-furo[3,4-c]pyridin-3-one.
What is the SMILES notation for 4-[[6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]-1H-furo[3,4-c]pyridin-3-one?
The canonical SMILES for 4-[[6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]-1H-furo[3,4-c]pyridin-3-one is CC1CCC(Nc2nccc3c2C(=O)OC3)CN1C(=O)c1ccccc1-n1nccn1.
What is the InChIKey of 4-[[6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]-1H-furo[3,4-c]pyridin-3-one?
The InChIKey is BSMZSFLIBGPCBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O3/c1-14-6-7-16(26-20-19-15(8-9-23-20)13-31-22(19)30)12-27(14)21(29)17-4-2-3-5-18(17)28-24-10-11-25-28/h2-5,8-11,14,16H,6-7,12-13H2,1H3,(H,23,26).
What are the key properties of 4-[[6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]-1H-furo[3,4-c]pyridin-3-one?
4-[[6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]-1H-furo[3,4-c]pyridin-3-one has a molecular weight of 418.46 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]-1H-furo[3,4-c]pyridin-3-one is sourced from PubChem (CID 123533666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).