(1S)-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 118175284

IUPAC(1S)-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]1OC(=O)c2c1ccnc2N[C@@H]1CC[C@@H](C)N(C(=O)c2ccccc2-n2nccn2)C1
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-OWCLPIDISA-N
MW432.48 g/mol
LogP3.00
Rot. Bonds4

About (1S)-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

(1S)-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 118175284) has the molecular formula C23H24N6O3 and a molecular weight of 432.48 g/mol. Its IUPAC name is (1S)-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(1S)-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 CID118175284
Molecular FormulaC23H24N6O3
Molecular Weight432.48 g/mol
Exact Mass432.19
IUPAC Name(1S)-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]1OC(=O)c2c1ccnc2N[C@@H]1CC[C@@H](C)N(C(=O)c2ccccc2-n2nccn2)C1
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-OWCLPIDISA-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 (1S)-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

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Frequently Asked Questions

What is the IUPAC name of (1S)-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 (1S)-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 118175284) is (1S)-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 (1S)-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 (1S)-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]1OC(=O)c2c1ccnc2N[C@@H]1CC[C@@H](C)N(C(=O)c2ccccc2-n2nccn2)C1.
What is the InChIKey of (1S)-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-OWCLPIDISA-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 (1S)-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?
(1S)-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 (1S)-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 118175284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).