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

C23H24N6O3 — CID 118192306

IUPAC(1R)-1-methyl-4-[[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]-1H-furo[3,4-c]pyridin-3-one
SMILESC[C@@H]1CC[C@@H](Nc2nccc3c2C(=O)O[C@@H]3C)CN1C(=O)c1ccccc1-n1nccn1
InChIInChI=1S/C23H24N6O3/c1-14-7-8-16(27-21-20-17(9-10-24-21)15(2)32-23(20)31)13-28(14)22(30)18-5-3-4-6-19(18)29-25-11-12-26-29/h3-6,9-12,14-16H,7-8,13H2,1-2H3,(H,24,27)/t14-,15-,16-/m1/s1
InChIKeyQALMMNSVWVMTAY-BZUAXINKSA-N
MW432.48 g/mol
LogP3.00
Rot. Bonds4

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

(1R)-1-methyl-4-[[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]-1H-furo[3,4-c]pyridin-3-one (PubChem CID 118192306) has the molecular formula C23H24N6O3 and a molecular weight of 432.48 g/mol. Its IUPAC name is (1R)-1-methyl-4-[[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]-1H-furo[3,4-c]pyridin-3-one.

Molecular Properties

Compound Name(1R)-1-methyl-4-[[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]-1H-furo[3,4-c]pyridin-3-one
PubChem CID118192306
Molecular FormulaC23H24N6O3
Molecular Weight432.48 g/mol
Exact Mass432.19
IUPAC Name(1R)-1-methyl-4-[[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]-1H-furo[3,4-c]pyridin-3-one
SMILESC[C@@H]1CC[C@@H](Nc2nccc3c2C(=O)O[C@@H]3C)CN1C(=O)c1ccccc1-n1nccn1
InChIInChI=1S/C23H24N6O3/c1-14-7-8-16(27-21-20-17(9-10-24-21)15(2)32-23(20)31)13-28(14)22(30)18-5-3-4-6-19(18)29-25-11-12-26-29/h3-6,9-12,14-16H,7-8,13H2,1-2H3,(H,24,27)/t14-,15-,16-/m1/s1
InChIKeyQALMMNSVWVMTAY-BZUAXINKSA-N
XLogP3.00
TPSA102.24 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-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
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
Methyl 4-[5-(ethoxycarbamoyl)-2-methylanilino]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate
CID 24755189
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
Ethyl 2-(2-{3-oxo-2-phenyl-1H,2H,3H-pyrazolo[3,4-B]pyridin-1-YL}acetamido)benzoate
CID 16025326
ethyl 4-[4-(2-oxo-1H-quinolin-4-yl)piperazin-1-yl]-1-phenylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 162651862
Methyl 4-[[5-[(ethylamino)carbonyl]-2-methylphenyl]amino]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate
CID 24755188

Frequently Asked Questions

What is the IUPAC name of (1R)-1-methyl-4-[[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]-1H-furo[3,4-c]pyridin-3-one?
The IUPAC name of (1R)-1-methyl-4-[[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]-1H-furo[3,4-c]pyridin-3-one (CID 118192306) is (1R)-1-methyl-4-[[(3R,6R)-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 (1R)-1-methyl-4-[[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]-1H-furo[3,4-c]pyridin-3-one?
The canonical SMILES for (1R)-1-methyl-4-[[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]-1H-furo[3,4-c]pyridin-3-one is C[C@@H]1CC[C@@H](Nc2nccc3c2C(=O)O[C@@H]3C)CN1C(=O)c1ccccc1-n1nccn1.
What is the InChIKey of (1R)-1-methyl-4-[[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]-1H-furo[3,4-c]pyridin-3-one?
The InChIKey is QALMMNSVWVMTAY-BZUAXINKSA-N. The full InChI is InChI=1S/C23H24N6O3/c1-14-7-8-16(27-21-20-17(9-10-24-21)15(2)32-23(20)31)13-28(14)22(30)18-5-3-4-6-19(18)29-25-11-12-26-29/h3-6,9-12,14-16H,7-8,13H2,1-2H3,(H,24,27)/t14-,15-,16-/m1/s1.
What are the key properties of (1R)-1-methyl-4-[[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]-1H-furo[3,4-c]pyridin-3-one?
(1R)-1-methyl-4-[[(3R,6R)-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 432.48 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-methyl-4-[[(3R,6R)-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 118192306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).