(4,6-dimethoxy-1-methylindol-2-yl)-[(3R)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone

C23H25N5O3 — CID 42537767

IUPAC(4,6-dimethoxy-1-methylindol-2-yl)-[(3R)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
SMILESCOc1cc(OC)c2cc(C(=O)N3CCC[C@@H](c4nnc5ccccn45)C3)n(C)c2c1
InChIInChI=1S/C23H25N5O3/c1-26-18-11-16(30-2)12-20(31-3)17(18)13-19(26)23(29)27-9-6-7-15(14-27)22-25-24-21-8-4-5-10-28(21)22/h4-5,8,10-13,15H,6-7,9,14H2,1-3H3/t15-/m1/s1
InChIKeyMSSIDBJUZQVRJJ-OAHLLOKOSA-N
MW419.49 g/mol
LogP3.26
Rot. Bonds4

About (4,6-dimethoxy-1-methylindol-2-yl)-[(3R)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone

(4,6-dimethoxy-1-methylindol-2-yl)-[(3R)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone (PubChem CID 42537767) has the molecular formula C23H25N5O3 and a molecular weight of 419.49 g/mol. Its IUPAC name is (4,6-dimethoxy-1-methylindol-2-yl)-[(3R)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4,6-dimethoxy-1-methylindol-2-yl)-[(3R)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
PubChem CID42537767
Molecular FormulaC23H25N5O3
Molecular Weight419.49 g/mol
Exact Mass419.20
IUPAC Name(4,6-dimethoxy-1-methylindol-2-yl)-[(3R)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
SMILESCOc1cc(OC)c2cc(C(=O)N3CCC[C@@H](c4nnc5ccccn45)C3)n(C)c2c1
InChIInChI=1S/C23H25N5O3/c1-26-18-11-16(30-2)12-20(31-3)17(18)13-19(26)23(29)27-9-6-7-15(14-27)22-25-24-21-8-4-5-10-28(21)22/h4-5,8,10-13,15H,6-7,9,14H2,1-3H3/t15-/m1/s1
InChIKeyMSSIDBJUZQVRJJ-OAHLLOKOSA-N
XLogP3.26
TPSA73.89 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1,3-dimethyl-6-[(3S)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]pyrimidine-2,4-dione
CID 125175514
2-methyl-3-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]-1H-pyrazol-5-one
CID 155957334
3-(3,5-dimethoxyphenyl)-1-[(3R)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propan-1-one
CID 51929162
2-(3-methoxyphenyl)-1-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanone
CID 46534448
3-(4-methoxyphenyl)-1-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propan-1-one
CID 75770583
(3-methyl-1-benzofuran-2-yl)-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 17488890
(3,5-dimethoxyphenyl)-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 42570360
[2-(difluoromethoxy)phenyl]-[(3S)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 51929159
(2,5-dimethoxyphenyl)-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 31742881
(2-iodophenyl)-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 42896883
(4R)-1-(3-methoxyphenyl)-4-[(3S)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 51933562
[2-(furan-2-yl)quinolin-4-yl]-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 42895594

Frequently Asked Questions

What is the IUPAC name of (4,6-dimethoxy-1-methylindol-2-yl)-[(3R)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone?
The IUPAC name of (4,6-dimethoxy-1-methylindol-2-yl)-[(3R)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone (CID 42537767) is (4,6-dimethoxy-1-methylindol-2-yl)-[(3R)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (4,6-dimethoxy-1-methylindol-2-yl)-[(3R)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone?
The canonical SMILES for (4,6-dimethoxy-1-methylindol-2-yl)-[(3R)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone is COc1cc(OC)c2cc(C(=O)N3CCC[C@@H](c4nnc5ccccn45)C3)n(C)c2c1.
What is the InChIKey of (4,6-dimethoxy-1-methylindol-2-yl)-[(3R)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone?
The InChIKey is MSSIDBJUZQVRJJ-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H25N5O3/c1-26-18-11-16(30-2)12-20(31-3)17(18)13-19(26)23(29)27-9-6-7-15(14-27)22-25-24-21-8-4-5-10-28(21)22/h4-5,8,10-13,15H,6-7,9,14H2,1-3H3/t15-/m1/s1.
What are the key properties of (4,6-dimethoxy-1-methylindol-2-yl)-[(3R)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone?
(4,6-dimethoxy-1-methylindol-2-yl)-[(3R)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone has a molecular weight of 419.49 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4,6-dimethoxy-1-methylindol-2-yl)-[(3R)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 42537767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).