(4,6-dimethyl-1H-indol-2-yl)-[(2R)-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone

C22H27N5O — CID 97221613

IUPAC(4,6-dimethyl-1H-indol-2-yl)-[(2R)-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
SMILESCc1cc(C)c2cc(C(=O)N3CCCC[C@@H]3c3nnc4n3CCCC4)[nH]c2c1
InChIInChI=1S/C22H27N5O/c1-14-11-15(2)16-13-18(23-17(16)12-14)22(28)26-9-5-3-7-19(26)21-25-24-20-8-4-6-10-27(20)21/h11-13,19,23H,3-10H2,1-2H3/t19-/m1/s1
InChIKeyGPASFAPHKZAEFY-LJQANCHMSA-N
MW377.49 g/mol
LogP4.08
Rot. Bonds2

About (4,6-dimethyl-1H-indol-2-yl)-[(2R)-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone

(4,6-dimethyl-1H-indol-2-yl)-[(2R)-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone (PubChem CID 97221613) has the molecular formula C22H27N5O and a molecular weight of 377.49 g/mol. Its IUPAC name is (4,6-dimethyl-1H-indol-2-yl)-[(2R)-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4,6-dimethyl-1H-indol-2-yl)-[(2R)-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
PubChem CID97221613
Molecular FormulaC22H27N5O
Molecular Weight377.49 g/mol
Exact Mass377.22
IUPAC Name(4,6-dimethyl-1H-indol-2-yl)-[(2R)-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
SMILESCc1cc(C)c2cc(C(=O)N3CCCC[C@@H]3c3nnc4n3CCCC4)[nH]c2c1
InChIInChI=1S/C22H27N5O/c1-14-11-15(2)16-13-18(23-17(16)12-14)22(28)26-9-5-3-7-19(26)21-25-24-20-8-4-6-10-27(20)21/h11-13,19,23H,3-10H2,1-2H3/t19-/m1/s1
InChIKeyGPASFAPHKZAEFY-LJQANCHMSA-N
XLogP4.08
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4,6-dimethyl-1H-indol-2-yl)-[(2R)-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone with MolForge

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Related Compounds

1-[3-[(2S)-1-(4-methyl-1H-indole-2-carbonyl)pyrrolidin-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone
CID 95833825
(2-cyclobutylpyrrolidin-1-yl)-(4,6-dimethyl-1H-indol-2-yl)methanone
CID 91642214
(4-methyl-1H-indol-2-yl)-[3-[(2R)-1-methylpiperidin-2-yl]-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl]methanone
CID 92622057
2-(2-methylphenyl)-1-[(2S)-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)pyrrolidin-1-yl]ethanone
CID 51981759
(2-chloro-4-fluorophenyl)-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 126795499
(2-chloro-4-fluorophenyl)-[(2S)-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 99818328
(2,5-difluorophenyl)-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 75376856
(3-aminophenyl)-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 119874115
(2,3-dimethylquinoxalin-6-yl)-[(2S)-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)pyrrolidin-1-yl]methanone
CID 51938561
(2R)-N-(5-methylthiophen-2-yl)-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carboxamide
CID 97071617
5-[(2R)-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 95152580
(2R)-N-(4-methylphenyl)-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)pyrrolidine-1-carboxamide
CID 95153294

Frequently Asked Questions

What is the IUPAC name of (4,6-dimethyl-1H-indol-2-yl)-[(2R)-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone?
The IUPAC name of (4,6-dimethyl-1H-indol-2-yl)-[(2R)-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone (CID 97221613) is (4,6-dimethyl-1H-indol-2-yl)-[(2R)-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (4,6-dimethyl-1H-indol-2-yl)-[(2R)-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone?
The canonical SMILES for (4,6-dimethyl-1H-indol-2-yl)-[(2R)-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone is Cc1cc(C)c2cc(C(=O)N3CCCC[C@@H]3c3nnc4n3CCCC4)[nH]c2c1.
What is the InChIKey of (4,6-dimethyl-1H-indol-2-yl)-[(2R)-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone?
The InChIKey is GPASFAPHKZAEFY-LJQANCHMSA-N. The full InChI is InChI=1S/C22H27N5O/c1-14-11-15(2)16-13-18(23-17(16)12-14)22(28)26-9-5-3-7-19(26)21-25-24-20-8-4-6-10-27(20)21/h11-13,19,23H,3-10H2,1-2H3/t19-/m1/s1.
What are the key properties of (4,6-dimethyl-1H-indol-2-yl)-[(2R)-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone?
(4,6-dimethyl-1H-indol-2-yl)-[(2R)-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone has a molecular weight of 377.49 g/mol, XLogP of 4.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4,6-dimethyl-1H-indol-2-yl)-[(2R)-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 97221613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).