3-methyl-5-[5-[1-[(1-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]triazolo[1,5-a]pyridine

C27H32N8 — CID 142594753

IUPAC3-methyl-5-[5-[1-[(1-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]triazolo[1,5-a]pyridine
SMILESCc1nnn2ccc(-c3[nH]c4ccc(C5CCN(Cc6ncn(C)n6)CC5)cc4c3C(C)C)cc12
InChIInChI=1S/C27H32N8/c1-17(2)26-22-13-20(19-7-10-34(11-8-19)15-25-28-16-33(4)31-25)5-6-23(22)29-27(26)21-9-12-35-24(14-21)18(3)30-32-35/h5-6,9,12-14,16-17,19,29H,7-8,10-11,15H2,1-4H3
InChIKeyUQQZFWDUVCFLGQ-UHFFFAOYSA-N
MW468.61 g/mol
LogP4.82
Rot. Bonds5

About 3-methyl-5-[5-[1-[(1-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]triazolo[1,5-a]pyridine

3-methyl-5-[5-[1-[(1-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]triazolo[1,5-a]pyridine (PubChem CID 142594753) has the molecular formula C27H32N8 and a molecular weight of 468.61 g/mol. Its IUPAC name is 3-methyl-5-[5-[1-[(1-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name3-methyl-5-[5-[1-[(1-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]triazolo[1,5-a]pyridine
PubChem CID142594753
Molecular FormulaC27H32N8
Molecular Weight468.61 g/mol
Exact Mass468.27
IUPAC Name3-methyl-5-[5-[1-[(1-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]triazolo[1,5-a]pyridine
SMILESCc1nnn2ccc(-c3[nH]c4ccc(C5CCN(Cc6ncn(C)n6)CC5)cc4c3C(C)C)cc12
InChIInChI=1S/C27H32N8/c1-17(2)26-22-13-20(19-7-10-34(11-8-19)15-25-28-16-33(4)31-25)5-6-23(22)29-27(26)21-9-12-35-24(14-21)18(3)30-32-35/h5-6,9,12-14,16-17,19,29H,7-8,10-11,15H2,1-4H3
InChIKeyUQQZFWDUVCFLGQ-UHFFFAOYSA-N
XLogP4.82
TPSA79.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.61
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(2,6-dimethyl-4-pyridinyl)-5-[1-[(1-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]-3-propan-2-yl-1H-indole
CID 134329543
6-[5-[1-[(1-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]triazolo[1,5-a]pyridine
CID 142594107
6-[5-[1-[(1-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]-[1,2,4]triazolo[4,3-a]pyridine
CID 137464102
7-methyl-6-[5-[1-[(1-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]tetrazolo[1,5-a]pyridine
CID 142594126
4-methyl-6-[5-[1-[(1-methylpyrazol-3-yl)methyl]piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]triazolo[1,5-a]pyridine
CID 142594830
2-[4-[2-(3-fluoro-2-methylpyrazolo[1,5-a]pyridin-5-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N,N-dimethylacetamide
CID 142594572
2-(2-cyclopropyl-4-pyridinyl)-5-[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-4-yl]-3-propan-2-yl-1H-indole
CID 134330189
5-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]-2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indole
CID 134329764
2-(2,6-dimethyl-4-pyridinyl)-5-[1-(2-methoxyethyl)piperidin-4-yl]-3-propan-2-yl-1H-indole
CID 134329839
2-[4-[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]ethanamine
CID 134231010
2-(2,6-dimethyl-4-pyridinyl)-5-[1-[(2-methoxypyrimidin-5-yl)methyl]piperidin-4-yl]-3-propan-2-yl-1H-indole
CID 134329401
3-hydroxy-1-[4-[2-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]butan-1-one
CID 155123900

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[5-[1-[(1-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]triazolo[1,5-a]pyridine?
The IUPAC name of 3-methyl-5-[5-[1-[(1-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]triazolo[1,5-a]pyridine (CID 142594753) is 3-methyl-5-[5-[1-[(1-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]triazolo[1,5-a]pyridine.
What is the SMILES notation for 3-methyl-5-[5-[1-[(1-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]triazolo[1,5-a]pyridine?
The canonical SMILES for 3-methyl-5-[5-[1-[(1-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]triazolo[1,5-a]pyridine is Cc1nnn2ccc(-c3[nH]c4ccc(C5CCN(Cc6ncn(C)n6)CC5)cc4c3C(C)C)cc12.
What is the InChIKey of 3-methyl-5-[5-[1-[(1-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]triazolo[1,5-a]pyridine?
The InChIKey is UQQZFWDUVCFLGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N8/c1-17(2)26-22-13-20(19-7-10-34(11-8-19)15-25-28-16-33(4)31-25)5-6-23(22)29-27(26)21-9-12-35-24(14-21)18(3)30-32-35/h5-6,9,12-14,16-17,19,29H,7-8,10-11,15H2,1-4H3.
What are the key properties of 3-methyl-5-[5-[1-[(1-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]triazolo[1,5-a]pyridine?
3-methyl-5-[5-[1-[(1-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]triazolo[1,5-a]pyridine has a molecular weight of 468.61 g/mol, XLogP of 4.82, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[5-[1-[(1-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]triazolo[1,5-a]pyridine is sourced from PubChem (CID 142594753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).