N-methyl-5-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]-7-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxamide

C19H25F3N4O2S — CID 146453340

IUPACN-methyl-5-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]-7-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxamide
SMILESCNC(=O)c1csc2c(C(F)(F)F)cc(N3CCN(CCOC(C)C)CC3)nc12
InChIInChI=1S/C19H25F3N4O2S/c1-12(2)28-9-8-25-4-6-26(7-5-25)15-10-14(19(20,21)22)17-16(24-15)13(11-29-17)18(27)23-3/h10-12H,4-9H2,1-3H3,(H,23,27)
InChIKeyDDRUJRNOLSVDMR-UHFFFAOYSA-N
MW430.50 g/mol
LogP3.22
Rot. Bonds6

About N-methyl-5-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]-7-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxamide

N-methyl-5-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]-7-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxamide (PubChem CID 146453340) has the molecular formula C19H25F3N4O2S and a molecular weight of 430.50 g/mol. Its IUPAC name is N-methyl-5-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]-7-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-5-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]-7-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxamide
PubChem CID146453340
Molecular FormulaC19H25F3N4O2S
Molecular Weight430.50 g/mol
Exact Mass430.17
IUPAC NameN-methyl-5-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]-7-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxamide
SMILESCNC(=O)c1csc2c(C(F)(F)F)cc(N3CCN(CCOC(C)C)CC3)nc12
InChIInChI=1S/C19H25F3N4O2S/c1-12(2)28-9-8-25-4-6-26(7-5-25)15-10-14(19(20,21)22)17-16(24-15)13(11-29-17)18(27)23-3/h10-12H,4-9H2,1-3H3,(H,23,27)
InChIKeyDDRUJRNOLSVDMR-UHFFFAOYSA-N
XLogP3.22
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.50
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]-7-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxamide?
The IUPAC name of N-methyl-5-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]-7-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxamide (CID 146453340) is N-methyl-5-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]-7-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxamide.
What is the SMILES notation for N-methyl-5-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]-7-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxamide?
The canonical SMILES for N-methyl-5-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]-7-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxamide is CNC(=O)c1csc2c(C(F)(F)F)cc(N3CCN(CCOC(C)C)CC3)nc12.
What is the InChIKey of N-methyl-5-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]-7-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxamide?
The InChIKey is DDRUJRNOLSVDMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F3N4O2S/c1-12(2)28-9-8-25-4-6-26(7-5-25)15-10-14(19(20,21)22)17-16(24-15)13(11-29-17)18(27)23-3/h10-12H,4-9H2,1-3H3,(H,23,27).
What are the key properties of N-methyl-5-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]-7-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxamide?
N-methyl-5-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]-7-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxamide has a molecular weight of 430.50 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]-7-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxamide is sourced from PubChem (CID 146453340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).