4-[[8-[4-(3-cyanophenyl)-4-hydroxypiperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide

C32H36N8O2 — CID 121434803

IUPAC4-[[8-[4-(3-cyanophenyl)-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)(c6cccc(C#N)c6)CC5)cccn4n3)cc2)CC1
InChIInChI=1S/C32H36N8O2/c1-37-17-12-27(13-18-37)38(2)30(41)24-8-10-26(11-9-24)34-31-35-29-28(7-4-16-40(29)36-31)39-19-14-32(42,15-20-39)25-6-3-5-23(21-25)22-33/h3-11,16,21,27,42H,12-15,17-20H2,1-2H3,(H,34,36)
InChIKeyUTMPFSZBSLHKSC-UHFFFAOYSA-N
MW564.69 g/mol
LogP4.00
Rot. Bonds6

About 4-[[8-[4-(3-cyanophenyl)-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-(3-cyanophenyl)-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 121434803) has the molecular formula C32H36N8O2 and a molecular weight of 564.69 g/mol. Its IUPAC name is 4-[[8-[4-(3-cyanophenyl)-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-(3-cyanophenyl)-4-hydroxypiperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
PubChem CID121434803
Molecular FormulaC32H36N8O2
Molecular Weight564.69 g/mol
Exact Mass564.30
IUPAC Name4-[[8-[4-(3-cyanophenyl)-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)(c6cccc(C#N)c6)CC5)cccn4n3)cc2)CC1
InChIInChI=1S/C32H36N8O2/c1-37-17-12-27(13-18-37)38(2)30(41)24-8-10-26(11-9-24)34-31-35-29-28(7-4-16-40(29)36-31)39-19-14-32(42,15-20-39)25-6-3-5-23(21-25)22-33/h3-11,16,21,27,42H,12-15,17-20H2,1-2H3,(H,34,36)
InChIKeyUTMPFSZBSLHKSC-UHFFFAOYSA-N
XLogP4.00
TPSA113.03 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500564.69
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 4-[[8-[4-(3-cyanophenyl)-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-(3-cyanophenyl)-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-(3-cyanophenyl)-4-hydroxypiperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide (CID 121434803) is 4-[[8-[4-(3-cyanophenyl)-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-(3-cyanophenyl)-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-(3-cyanophenyl)-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)(c6cccc(C#N)c6)CC5)cccn4n3)cc2)CC1.
What is the InChIKey of 4-[[8-[4-(3-cyanophenyl)-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 UTMPFSZBSLHKSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36N8O2/c1-37-17-12-27(13-18-37)38(2)30(41)24-8-10-26(11-9-24)34-31-35-29-28(7-4-16-40(29)36-31)39-19-14-32(42,15-20-39)25-6-3-5-23(21-25)22-33/h3-11,16,21,27,42H,12-15,17-20H2,1-2H3,(H,34,36).
What are the key properties of 4-[[8-[4-(3-cyanophenyl)-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-(3-cyanophenyl)-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 564.69 g/mol, XLogP of 4.00, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[8-[4-(3-cyanophenyl)-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 121434803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).