3-amino-6-[4-[[2-hydroxy-2-(6-methyl-2-pyridinyl)ethyl]amino]piperidin-1-yl]-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide

C22H25F3N6O2S — CID 11248938

IUPAC3-amino-6-[4-[[2-hydroxy-2-(6-methyl-2-pyridinyl)ethyl]amino]piperidin-1-yl]-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1cccc(C(O)CNC2CCN(c3cc(C(F)(F)F)c4c(N)c(C(N)=O)sc4n3)CC2)n1
InChIInChI=1S/C22H25F3N6O2S/c1-11-3-2-4-14(29-11)15(32)10-28-12-5-7-31(8-6-12)16-9-13(22(23,24)25)17-18(26)19(20(27)33)34-21(17)30-16/h2-4,9,12,15,28,32H,5-8,10,26H2,1H3,(H2,27,33)
InChIKeyMEYJINLRKSDDGU-UHFFFAOYSA-N
MW494.54 g/mol
LogP2.99
Rot. Bonds6

About 3-amino-6-[4-[[2-hydroxy-2-(6-methyl-2-pyridinyl)ethyl]amino]piperidin-1-yl]-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide

3-amino-6-[4-[[2-hydroxy-2-(6-methyl-2-pyridinyl)ethyl]amino]piperidin-1-yl]-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 11248938) has the molecular formula C22H25F3N6O2S and a molecular weight of 494.54 g/mol. Its IUPAC name is 3-amino-6-[4-[[2-hydroxy-2-(6-methyl-2-pyridinyl)ethyl]amino]piperidin-1-yl]-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-[4-[[2-hydroxy-2-(6-methyl-2-pyridinyl)ethyl]amino]piperidin-1-yl]-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
PubChem CID11248938
Molecular FormulaC22H25F3N6O2S
Molecular Weight494.54 g/mol
Exact Mass494.17
IUPAC Name3-amino-6-[4-[[2-hydroxy-2-(6-methyl-2-pyridinyl)ethyl]amino]piperidin-1-yl]-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1cccc(C(O)CNC2CCN(c3cc(C(F)(F)F)c4c(N)c(C(N)=O)sc4n3)CC2)n1
InChIInChI=1S/C22H25F3N6O2S/c1-11-3-2-4-14(29-11)15(32)10-28-12-5-7-31(8-6-12)16-9-13(22(23,24)25)17-18(26)19(20(27)33)34-21(17)30-16/h2-4,9,12,15,28,32H,5-8,10,26H2,1H3,(H2,27,33)
InChIKeyMEYJINLRKSDDGU-UHFFFAOYSA-N
XLogP2.99
TPSA130.39 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.54
LogP ≤ 52.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-[4-[[2-hydroxy-2-(6-methyl-2-pyridinyl)ethyl]amino]piperidin-1-yl]-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-6-[4-[[2-hydroxy-2-(6-methyl-2-pyridinyl)ethyl]amino]piperidin-1-yl]-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide (CID 11248938) is 3-amino-6-[4-[[2-hydroxy-2-(6-methyl-2-pyridinyl)ethyl]amino]piperidin-1-yl]-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-6-[4-[[2-hydroxy-2-(6-methyl-2-pyridinyl)ethyl]amino]piperidin-1-yl]-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-6-[4-[[2-hydroxy-2-(6-methyl-2-pyridinyl)ethyl]amino]piperidin-1-yl]-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide is Cc1cccc(C(O)CNC2CCN(c3cc(C(F)(F)F)c4c(N)c(C(N)=O)sc4n3)CC2)n1.
What is the InChIKey of 3-amino-6-[4-[[2-hydroxy-2-(6-methyl-2-pyridinyl)ethyl]amino]piperidin-1-yl]-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is MEYJINLRKSDDGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F3N6O2S/c1-11-3-2-4-14(29-11)15(32)10-28-12-5-7-31(8-6-12)16-9-13(22(23,24)25)17-18(26)19(20(27)33)34-21(17)30-16/h2-4,9,12,15,28,32H,5-8,10,26H2,1H3,(H2,27,33).
What are the key properties of 3-amino-6-[4-[[2-hydroxy-2-(6-methyl-2-pyridinyl)ethyl]amino]piperidin-1-yl]-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
3-amino-6-[4-[[2-hydroxy-2-(6-methyl-2-pyridinyl)ethyl]amino]piperidin-1-yl]-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 494.54 g/mol, XLogP of 2.99, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-[4-[[2-hydroxy-2-(6-methyl-2-pyridinyl)ethyl]amino]piperidin-1-yl]-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 11248938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).