2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-5-piperidin-4-yl-3-propan-2-ylindole-1-carboxylic acid

C25H29N5O2 — CID 175702301

IUPAC2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-5-piperidin-4-yl-3-propan-2-ylindole-1-carboxylic acid
SMILESCc1c(-c2c(C(C)C)c3cc(C4CCNCC4)ccc3n2C(=O)O)cn2ncnc2c1C
InChIInChI=1S/C25H29N5O2/c1-14(2)22-19-11-18(17-7-9-26-10-8-17)5-6-21(19)30(25(31)32)23(22)20-12-29-24(27-13-28-29)16(4)15(20)3/h5-6,11-14,17,26H,7-10H2,1-4H3,(H,31,32)
InChIKeyIOQJHBFSMWWEEC-UHFFFAOYSA-N
MW431.54 g/mol
LogP5.08
Rot. Bonds3

About 2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-5-piperidin-4-yl-3-propan-2-ylindole-1-carboxylic acid

2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-5-piperidin-4-yl-3-propan-2-ylindole-1-carboxylic acid (PubChem CID 175702301) has the molecular formula C25H29N5O2 and a molecular weight of 431.54 g/mol. Its IUPAC name is 2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-5-piperidin-4-yl-3-propan-2-ylindole-1-carboxylic acid.

Molecular Properties

Compound Name2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-5-piperidin-4-yl-3-propan-2-ylindole-1-carboxylic acid
PubChem CID175702301
Molecular FormulaC25H29N5O2
Molecular Weight431.54 g/mol
Exact Mass431.23
IUPAC Name2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-5-piperidin-4-yl-3-propan-2-ylindole-1-carboxylic acid
SMILESCc1c(-c2c(C(C)C)c3cc(C4CCNCC4)ccc3n2C(=O)O)cn2ncnc2c1C
InChIInChI=1S/C25H29N5O2/c1-14(2)22-19-11-18(17-7-9-26-10-8-17)5-6-21(19)30(25(31)32)23(22)20-12-29-24(27-13-28-29)16(4)15(20)3/h5-6,11-14,17,26H,7-10H2,1-4H3,(H,31,32)
InChIKeyIOQJHBFSMWWEEC-UHFFFAOYSA-N
XLogP5.08
TPSA84.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.54
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-5-piperidin-4-yl-3-propan-2-ylindole-1-carboxylic acid 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

[4-[hydroxy(phenylmethoxy)phosphoryl]oxy-3-methoxybenzoyl]oxymethyl 2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-5-piperidin-4-yl-3-propan-2-ylindole-1-carboxylate
CID 155271627
[(2S)-piperidin-2-yl]methyl 5-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-ylindole-1-carboxylate
CID 155271538
6-[5-(azetidin-3-yl)-3-propan-2-yl-1H-indol-2-yl]-7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridine
CID 154639610
bis(phenylmethoxy)phosphoryloxymethyl N-[2-[5-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-ylindol-1-yl]-2-oxoethyl]-N-methylcarbamate
CID 155719472
7,8-dimethyl-6-(5-piperidin-4-yl-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-[1,2,4]triazolo[1,5-a]pyridine
CID 155226265
[1-[bis(phenylmethoxy)phosphoryloxymethoxycarbonyl]pyrrolidin-2-yl]methyl 5-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-ylindole-1-carboxylate
CID 155271503
3-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]cyclobutan-1-amine
CID 154639415
1-[3-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-(methylamino)ethanone
CID 154639455
7-ethyl-8-methyl-6-[5-(1-methylpiperidin-4-yl)-3-propan-2-yl-1H-indol-2-yl]-[1,2,4]triazolo[1,5-a]pyridine
CID 145431932
2-[5-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-N-methylacetamide
CID 154639603
8-methoxy-6-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-[1,2,4]triazolo[1,5-a]pyridine;dihydrochloride
CID 140830339
2-[4-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]acetamide;oxo-bis(phenylmethoxy)phosphanium
CID 164998162

Frequently Asked Questions

What is the IUPAC name of 2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-5-piperidin-4-yl-3-propan-2-ylindole-1-carboxylic acid?
The IUPAC name of 2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-5-piperidin-4-yl-3-propan-2-ylindole-1-carboxylic acid (CID 175702301) is 2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-5-piperidin-4-yl-3-propan-2-ylindole-1-carboxylic acid.
What is the SMILES notation for 2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-5-piperidin-4-yl-3-propan-2-ylindole-1-carboxylic acid?
The canonical SMILES for 2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-5-piperidin-4-yl-3-propan-2-ylindole-1-carboxylic acid is Cc1c(-c2c(C(C)C)c3cc(C4CCNCC4)ccc3n2C(=O)O)cn2ncnc2c1C.
What is the InChIKey of 2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-5-piperidin-4-yl-3-propan-2-ylindole-1-carboxylic acid?
The InChIKey is IOQJHBFSMWWEEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O2/c1-14(2)22-19-11-18(17-7-9-26-10-8-17)5-6-21(19)30(25(31)32)23(22)20-12-29-24(27-13-28-29)16(4)15(20)3/h5-6,11-14,17,26H,7-10H2,1-4H3,(H,31,32).
What are the key properties of 2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-5-piperidin-4-yl-3-propan-2-ylindole-1-carboxylic acid?
2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-5-piperidin-4-yl-3-propan-2-ylindole-1-carboxylic acid has a molecular weight of 431.54 g/mol, XLogP of 5.08, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-5-piperidin-4-yl-3-propan-2-ylindole-1-carboxylic acid is sourced from PubChem (CID 175702301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).