N-methyl-2-[4-[3-propan-2-yl-2-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1H-indol-5-yl]piperidin-1-yl]acetamide

C24H29N7O — CID 142594622

IUPACN-methyl-2-[4-[3-propan-2-yl-2-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1H-indol-5-yl]piperidin-1-yl]acetamide
SMILESCNC(=O)CN1CCC(c2ccc3[nH]c(-c4cnc5ncnn5c4)c(C(C)C)c3c2)CC1
InChIInChI=1S/C24H29N7O/c1-15(2)22-19-10-17(16-6-8-30(9-7-16)13-21(32)25-3)4-5-20(19)29-23(22)18-11-26-24-27-14-28-31(24)12-18/h4-5,10-12,14-16,29H,6-9,13H2,1-3H3,(H,25,32)
InChIKeyQRWNEHKTKUAPJT-UHFFFAOYSA-N
MW431.54 g/mol
LogP3.32
Rot. Bonds5

About N-methyl-2-[4-[3-propan-2-yl-2-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1H-indol-5-yl]piperidin-1-yl]acetamide

N-methyl-2-[4-[3-propan-2-yl-2-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1H-indol-5-yl]piperidin-1-yl]acetamide (PubChem CID 142594622) has the molecular formula C24H29N7O and a molecular weight of 431.54 g/mol. Its IUPAC name is N-methyl-2-[4-[3-propan-2-yl-2-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1H-indol-5-yl]piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[4-[3-propan-2-yl-2-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1H-indol-5-yl]piperidin-1-yl]acetamide
PubChem CID142594622
Molecular FormulaC24H29N7O
Molecular Weight431.54 g/mol
Exact Mass431.24
IUPAC NameN-methyl-2-[4-[3-propan-2-yl-2-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1H-indol-5-yl]piperidin-1-yl]acetamide
SMILESCNC(=O)CN1CCC(c2ccc3[nH]c(-c4cnc5ncnn5c4)c(C(C)C)c3c2)CC1
InChIInChI=1S/C24H29N7O/c1-15(2)22-19-10-17(16-6-8-30(9-7-16)13-21(32)25-3)4-5-20(19)29-23(22)18-11-26-24-27-14-28-31(24)12-18/h4-5,10-12,14-16,29H,6-9,13H2,1-3H3,(H,25,32)
InChIKeyQRWNEHKTKUAPJT-UHFFFAOYSA-N
XLogP3.32
TPSA91.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-methyl-2-[4-[3-propan-2-yl-2-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1H-indol-5-yl]piperidin-1-yl]acetamide 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

2-[4-[2-(2-methoxy-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N-methylacetamide
CID 134329798
N-methyl-2-[4-[2-(8-methylquinoxalin-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]acetamide
CID 142594665
1-[4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]butan-2-one
CID 158399041
N-methyl-3-[4-[2-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]cyclohexyl]propanamide
CID 159935197
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
2-[4-[2-(5-methoxy-1,4-dimethyl-6-oxo-3-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N-methylacetamide
CID 137464431
[6-[5-[1-(isocyanomethyl)piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]methanol
CID 140830350
2-[4-[2-(8-methoxy-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N-(1-methylcyclobutyl)acetamide
CID 171439835
2-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N-(3-hydroxybutyl)acetamide
CID 134329458
2-[4-[2-[(2Z)-1-amino-2-(aminomethylidene)-4-pyridinyl]-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N-methylacetamide
CID 142594328
3-hydroxy-1-[4-(3-propan-2-yl-2-pyrazolo[1,5-a]pyrimidin-6-yl-1H-indol-5-yl)piperidin-1-yl]butan-1-one
CID 155123901
N-(2-hydroxyethyl)-N-methyl-2-[8-methyl-6-[5-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]imidazo[1,2-a]pyridin-2-yl]acetamide
CID 155796975

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[4-[3-propan-2-yl-2-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1H-indol-5-yl]piperidin-1-yl]acetamide?
The IUPAC name of N-methyl-2-[4-[3-propan-2-yl-2-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1H-indol-5-yl]piperidin-1-yl]acetamide (CID 142594622) is N-methyl-2-[4-[3-propan-2-yl-2-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1H-indol-5-yl]piperidin-1-yl]acetamide.
What is the SMILES notation for N-methyl-2-[4-[3-propan-2-yl-2-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1H-indol-5-yl]piperidin-1-yl]acetamide?
The canonical SMILES for N-methyl-2-[4-[3-propan-2-yl-2-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1H-indol-5-yl]piperidin-1-yl]acetamide is CNC(=O)CN1CCC(c2ccc3[nH]c(-c4cnc5ncnn5c4)c(C(C)C)c3c2)CC1.
What is the InChIKey of N-methyl-2-[4-[3-propan-2-yl-2-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1H-indol-5-yl]piperidin-1-yl]acetamide?
The InChIKey is QRWNEHKTKUAPJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N7O/c1-15(2)22-19-10-17(16-6-8-30(9-7-16)13-21(32)25-3)4-5-20(19)29-23(22)18-11-26-24-27-14-28-31(24)12-18/h4-5,10-12,14-16,29H,6-9,13H2,1-3H3,(H,25,32).
What are the key properties of N-methyl-2-[4-[3-propan-2-yl-2-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1H-indol-5-yl]piperidin-1-yl]acetamide?
N-methyl-2-[4-[3-propan-2-yl-2-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1H-indol-5-yl]piperidin-1-yl]acetamide has a molecular weight of 431.54 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[4-[3-propan-2-yl-2-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1H-indol-5-yl]piperidin-1-yl]acetamide is sourced from PubChem (CID 142594622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).