4-[[8-(4-cyclohexyl-4-hydroxypiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide

C31H43N7O2 — CID 121434917

IUPAC4-[[8-(4-cyclohexyl-4-hydroxypiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
SMILESCN1CCC(N(C)C(=O)c2ccc(Nc3nc4c(N5CCC(O)(C6CCCCC6)CC5)cccn4n3)cc2)CC1
InChIInChI=1S/C31H43N7O2/c1-35-19-14-26(15-20-35)36(2)29(39)23-10-12-25(13-11-23)32-30-33-28-27(9-6-18-38(28)34-30)37-21-16-31(40,17-22-37)24-7-4-3-5-8-24/h6,9-13,18,24,26,40H,3-5,7-8,14-17,19-22H2,1-2H3,(H,32,34)
InChIKeyQVQHALUCUULTRF-UHFFFAOYSA-N
MW545.73 g/mol
LogP4.55
Rot. Bonds6

About 4-[[8-(4-cyclohexyl-4-hydroxypiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide

4-[[8-(4-cyclohexyl-4-hydroxypiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide (PubChem CID 121434917) has the molecular formula C31H43N7O2 and a molecular weight of 545.73 g/mol. Its IUPAC name is 4-[[8-(4-cyclohexyl-4-hydroxypiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name4-[[8-(4-cyclohexyl-4-hydroxypiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
PubChem CID121434917
Molecular FormulaC31H43N7O2
Molecular Weight545.73 g/mol
Exact Mass545.35
IUPAC Name4-[[8-(4-cyclohexyl-4-hydroxypiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
SMILESCN1CCC(N(C)C(=O)c2ccc(Nc3nc4c(N5CCC(O)(C6CCCCC6)CC5)cccn4n3)cc2)CC1
InChIInChI=1S/C31H43N7O2/c1-35-19-14-26(15-20-35)36(2)29(39)23-10-12-25(13-11-23)32-30-33-28-27(9-6-18-38(28)34-30)37-21-16-31(40,17-22-37)24-7-4-3-5-8-24/h6,9-13,18,24,26,40H,3-5,7-8,14-17,19-22H2,1-2H3,(H,32,34)
InChIKeyQVQHALUCUULTRF-UHFFFAOYSA-N
XLogP4.55
TPSA89.24 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500545.73
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-[[8-(4-cyclohexyl-4-hydroxypiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[[8-(4-cyclohexyl-4-hydroxypiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide?
The IUPAC name of 4-[[8-(4-cyclohexyl-4-hydroxypiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide (CID 121434917) is 4-[[8-(4-cyclohexyl-4-hydroxypiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide.
What is the SMILES notation for 4-[[8-(4-cyclohexyl-4-hydroxypiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide?
The canonical SMILES for 4-[[8-(4-cyclohexyl-4-hydroxypiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide is CN1CCC(N(C)C(=O)c2ccc(Nc3nc4c(N5CCC(O)(C6CCCCC6)CC5)cccn4n3)cc2)CC1.
What is the InChIKey of 4-[[8-(4-cyclohexyl-4-hydroxypiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide?
The InChIKey is QVQHALUCUULTRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H43N7O2/c1-35-19-14-26(15-20-35)36(2)29(39)23-10-12-25(13-11-23)32-30-33-28-27(9-6-18-38(28)34-30)37-21-16-31(40,17-22-37)24-7-4-3-5-8-24/h6,9-13,18,24,26,40H,3-5,7-8,14-17,19-22H2,1-2H3,(H,32,34).
What are the key properties of 4-[[8-(4-cyclohexyl-4-hydroxypiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide?
4-[[8-(4-cyclohexyl-4-hydroxypiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide has a molecular weight of 545.73 g/mol, XLogP of 4.55, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[8-(4-cyclohexyl-4-hydroxypiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide is sourced from PubChem (CID 121434917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).