2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-N-(1-propan-2-ylpiperidin-4-yl)-1H-indole-5-carboxamide

C27H34N6O2 — CID 154641061

IUPAC2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-N-(1-propan-2-ylpiperidin-4-yl)-1H-indole-5-carboxamide
SMILESCOc1cc(-c2[nH]c3ccc(C(=O)NC4CCN(C(C)C)CC4)cc3c2C(C)C)cn2ncnc12
InChIInChI=1S/C27H34N6O2/c1-16(2)24-21-12-18(27(34)30-20-8-10-32(11-9-20)17(3)4)6-7-22(21)31-25(24)19-13-23(35-5)26-28-15-29-33(26)14-19/h6-7,12-17,20,31H,8-11H2,1-5H3,(H,30,34)
InChIKeySHPIMLMIYVNVAI-UHFFFAOYSA-N
MW474.61 g/mol
LogP4.61
Rot. Bonds6

About 2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-N-(1-propan-2-ylpiperidin-4-yl)-1H-indole-5-carboxamide

2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-N-(1-propan-2-ylpiperidin-4-yl)-1H-indole-5-carboxamide (PubChem CID 154641061) has the molecular formula C27H34N6O2 and a molecular weight of 474.61 g/mol. Its IUPAC name is 2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-N-(1-propan-2-ylpiperidin-4-yl)-1H-indole-5-carboxamide.

Molecular Properties

Compound Name2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-N-(1-propan-2-ylpiperidin-4-yl)-1H-indole-5-carboxamide
PubChem CID154641061
Molecular FormulaC27H34N6O2
Molecular Weight474.61 g/mol
Exact Mass474.27
IUPAC Name2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-N-(1-propan-2-ylpiperidin-4-yl)-1H-indole-5-carboxamide
SMILESCOc1cc(-c2[nH]c3ccc(C(=O)NC4CCN(C(C)C)CC4)cc3c2C(C)C)cn2ncnc12
InChIInChI=1S/C27H34N6O2/c1-16(2)24-21-12-18(27(34)30-20-8-10-32(11-9-20)17(3)4)6-7-22(21)31-25(24)19-13-23(35-5)26-28-15-29-33(26)14-19/h6-7,12-17,20,31H,8-11H2,1-5H3,(H,30,34)
InChIKeySHPIMLMIYVNVAI-UHFFFAOYSA-N
XLogP4.61
TPSA87.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.61
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-N-(1-propan-2-ylpiperidin-4-yl)-1H-indole-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-N-(1-propan-2-ylpiperidin-4-yl)-1H-indole-5-carboxamide?
The IUPAC name of 2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-N-(1-propan-2-ylpiperidin-4-yl)-1H-indole-5-carboxamide (CID 154641061) is 2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-N-(1-propan-2-ylpiperidin-4-yl)-1H-indole-5-carboxamide.
What is the SMILES notation for 2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-N-(1-propan-2-ylpiperidin-4-yl)-1H-indole-5-carboxamide?
The canonical SMILES for 2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-N-(1-propan-2-ylpiperidin-4-yl)-1H-indole-5-carboxamide is COc1cc(-c2[nH]c3ccc(C(=O)NC4CCN(C(C)C)CC4)cc3c2C(C)C)cn2ncnc12.
What is the InChIKey of 2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-N-(1-propan-2-ylpiperidin-4-yl)-1H-indole-5-carboxamide?
The InChIKey is SHPIMLMIYVNVAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N6O2/c1-16(2)24-21-12-18(27(34)30-20-8-10-32(11-9-20)17(3)4)6-7-22(21)31-25(24)19-13-23(35-5)26-28-15-29-33(26)14-19/h6-7,12-17,20,31H,8-11H2,1-5H3,(H,30,34).
What are the key properties of 2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-N-(1-propan-2-ylpiperidin-4-yl)-1H-indole-5-carboxamide?
2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-N-(1-propan-2-ylpiperidin-4-yl)-1H-indole-5-carboxamide has a molecular weight of 474.61 g/mol, XLogP of 4.61, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-N-(1-propan-2-ylpiperidin-4-yl)-1H-indole-5-carboxamide is sourced from PubChem (CID 154641061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).