1-[5-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxy-2-pyridinyl]-5-(1,2,4-triazol-1-yl)-4,5-dihydroindole

C26H28N8O — CID 67808461

IUPAC1-[5-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxy-2-pyridinyl]-5-(1,2,4-triazol-1-yl)-4,5-dihydroindole
SMILESCCc1cnc(N2CCC(Oc3ccc(-n4ccc5c4C=CC(n4cncn4)C5)nc3)CC2)nc1
InChIInChI=1S/C26H28N8O/c1-2-19-14-29-26(30-15-19)32-10-8-22(9-11-32)35-23-4-6-25(28-16-23)33-12-7-20-13-21(3-5-24(20)33)34-18-27-17-31-34/h3-7,12,14-18,21-22H,2,8-11,13H2,1H3
InChIKeyXYQRLCMNQQOHFM-UHFFFAOYSA-N
MW468.57 g/mol
LogP3.67
Rot. Bonds6

About 1-[5-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxy-2-pyridinyl]-5-(1,2,4-triazol-1-yl)-4,5-dihydroindole

1-[5-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxy-2-pyridinyl]-5-(1,2,4-triazol-1-yl)-4,5-dihydroindole (PubChem CID 67808461) has the molecular formula C26H28N8O and a molecular weight of 468.57 g/mol. Its IUPAC name is 1-[5-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxy-2-pyridinyl]-5-(1,2,4-triazol-1-yl)-4,5-dihydroindole.

Molecular Properties

Compound Name1-[5-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxy-2-pyridinyl]-5-(1,2,4-triazol-1-yl)-4,5-dihydroindole
PubChem CID67808461
Molecular FormulaC26H28N8O
Molecular Weight468.57 g/mol
Exact Mass468.24
IUPAC Name1-[5-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxy-2-pyridinyl]-5-(1,2,4-triazol-1-yl)-4,5-dihydroindole
SMILESCCc1cnc(N2CCC(Oc3ccc(-n4ccc5c4C=CC(n4cncn4)C5)nc3)CC2)nc1
InChIInChI=1S/C26H28N8O/c1-2-19-14-29-26(30-15-19)32-10-8-22(9-11-32)35-23-4-6-25(28-16-23)33-12-7-20-13-21(3-5-24(20)33)34-18-27-17-31-34/h3-7,12,14-18,21-22H,2,8-11,13H2,1H3
InChIKeyXYQRLCMNQQOHFM-UHFFFAOYSA-N
XLogP3.67
TPSA86.78 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.57
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 1-[5-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxy-2-pyridinyl]-5-(1,2,4-triazol-1-yl)-4,5-dihydroindole 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

1-[1-[5-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxy-2-pyridinyl]indol-5-yl]pyrrolidin-2-one
CID 67807766
1-[5-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxy-2-pyridinyl]-N-(2-hydroxyethyl)indole-5-carboxamide
CID 67806870
4-[[5-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxy-2-pyridinyl]methyl]-N-methylpiperazin-1-amine
CID 143877131
2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxy-6-methylpyrazine
CID 171700905
2-[4-[4-(2,6-dimethyl-3-pyridinyl)phenoxy]piperidin-1-yl]-5-ethylpyrimidine
CID 91395356
5-[[4-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxyphenyl]methyl]-1,3,2-dioxathiane 2,2-dioxide
CID 87429369
2-[4-(1,2-dihydropyridin-4-yloxy)piperidin-1-yl]-5-ethylpyrimidine
CID 142711209
5-ethyl-2-[4-[3-(4-methylphenyl)phenoxy]piperidin-1-yl]pyrimidine
CID 90810331
N-[[4-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxyphenyl]methyl]-N,2,6-trimethylpyridin-3-amine
CID 91198410
2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]oxy-5-ethylpyrimidine
CID 138988924
5-ethyl-2-[4-[4-[(4-methylsulfinylpiperazin-1-yl)methyl]phenoxy]piperidin-1-yl]pyrimidine
CID 66874331
1-(4-methylsulfanylphenyl)-4-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxypyridin-2-one
CID 57468392

Frequently Asked Questions

What is the IUPAC name of 1-[5-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxy-2-pyridinyl]-5-(1,2,4-triazol-1-yl)-4,5-dihydroindole?
The IUPAC name of 1-[5-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxy-2-pyridinyl]-5-(1,2,4-triazol-1-yl)-4,5-dihydroindole (CID 67808461) is 1-[5-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxy-2-pyridinyl]-5-(1,2,4-triazol-1-yl)-4,5-dihydroindole.
What is the SMILES notation for 1-[5-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxy-2-pyridinyl]-5-(1,2,4-triazol-1-yl)-4,5-dihydroindole?
The canonical SMILES for 1-[5-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxy-2-pyridinyl]-5-(1,2,4-triazol-1-yl)-4,5-dihydroindole is CCc1cnc(N2CCC(Oc3ccc(-n4ccc5c4C=CC(n4cncn4)C5)nc3)CC2)nc1.
What is the InChIKey of 1-[5-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxy-2-pyridinyl]-5-(1,2,4-triazol-1-yl)-4,5-dihydroindole?
The InChIKey is XYQRLCMNQQOHFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N8O/c1-2-19-14-29-26(30-15-19)32-10-8-22(9-11-32)35-23-4-6-25(28-16-23)33-12-7-20-13-21(3-5-24(20)33)34-18-27-17-31-34/h3-7,12,14-18,21-22H,2,8-11,13H2,1H3.
What are the key properties of 1-[5-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxy-2-pyridinyl]-5-(1,2,4-triazol-1-yl)-4,5-dihydroindole?
1-[5-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxy-2-pyridinyl]-5-(1,2,4-triazol-1-yl)-4,5-dihydroindole has a molecular weight of 468.57 g/mol, XLogP of 3.67, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxy-2-pyridinyl]-5-(1,2,4-triazol-1-yl)-4,5-dihydroindole is sourced from PubChem (CID 67808461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).