N-[3-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-5-(trifluoromethyl)phenyl]-6-(5-methylimidazo[1,2-a]pyridine-3-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide

C31H33F3N6O2S — CID 172516966

IUPACN-[3-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-5-(trifluoromethyl)phenyl]-6-(5-methylimidazo[1,2-a]pyridine-3-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
SMILESCc1cccc2ncc(C(=O)N3CCc4c(C(=O)Nc5cc(CN6CCC(N(C)C)C6)cc(C(F)(F)F)c5)csc4C3)n12
InChIInChI=1S/C31H33F3N6O2S/c1-19-5-4-6-28-35-14-26(40(19)28)30(42)39-10-8-24-25(18-43-27(24)17-39)29(41)36-22-12-20(11-21(13-22)31(32,33)34)15-38-9-7-23(16-38)37(2)3/h4-6,11-14,18,23H,7-10,15-17H2,1-3H3,(H,36,41)
InChIKeyMQGCNHWTFSHJHZ-UHFFFAOYSA-N
MW610.71 g/mol
LogP5.31
Rot. Bonds6

About N-[3-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-5-(trifluoromethyl)phenyl]-6-(5-methylimidazo[1,2-a]pyridine-3-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide

N-[3-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-5-(trifluoromethyl)phenyl]-6-(5-methylimidazo[1,2-a]pyridine-3-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (PubChem CID 172516966) has the molecular formula C31H33F3N6O2S and a molecular weight of 610.71 g/mol. Its IUPAC name is N-[3-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-5-(trifluoromethyl)phenyl]-6-(5-methylimidazo[1,2-a]pyridine-3-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-5-(trifluoromethyl)phenyl]-6-(5-methylimidazo[1,2-a]pyridine-3-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
PubChem CID172516966
Molecular FormulaC31H33F3N6O2S
Molecular Weight610.71 g/mol
Exact Mass610.23
IUPAC NameN-[3-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-5-(trifluoromethyl)phenyl]-6-(5-methylimidazo[1,2-a]pyridine-3-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
SMILESCc1cccc2ncc(C(=O)N3CCc4c(C(=O)Nc5cc(CN6CCC(N(C)C)C6)cc(C(F)(F)F)c5)csc4C3)n12
InChIInChI=1S/C31H33F3N6O2S/c1-19-5-4-6-28-35-14-26(40(19)28)30(42)39-10-8-24-25(18-43-27(24)17-39)29(41)36-22-12-20(11-21(13-22)31(32,33)34)15-38-9-7-23(16-38)37(2)3/h4-6,11-14,18,23H,7-10,15-17H2,1-3H3,(H,36,41)
InChIKeyMQGCNHWTFSHJHZ-UHFFFAOYSA-N
XLogP5.31
TPSA73.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.71
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[3-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-5-(trifluoromethyl)phenyl]-6-(5-methylimidazo[1,2-a]pyridine-3-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-5-(trifluoromethyl)phenyl]-6-(5-methylimidazo[1,2-a]pyridine-3-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The IUPAC name of N-[3-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-5-(trifluoromethyl)phenyl]-6-(5-methylimidazo[1,2-a]pyridine-3-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (CID 172516966) is N-[3-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-5-(trifluoromethyl)phenyl]-6-(5-methylimidazo[1,2-a]pyridine-3-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-5-(trifluoromethyl)phenyl]-6-(5-methylimidazo[1,2-a]pyridine-3-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The canonical SMILES for N-[3-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-5-(trifluoromethyl)phenyl]-6-(5-methylimidazo[1,2-a]pyridine-3-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is Cc1cccc2ncc(C(=O)N3CCc4c(C(=O)Nc5cc(CN6CCC(N(C)C)C6)cc(C(F)(F)F)c5)csc4C3)n12.
What is the InChIKey of N-[3-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-5-(trifluoromethyl)phenyl]-6-(5-methylimidazo[1,2-a]pyridine-3-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The InChIKey is MQGCNHWTFSHJHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33F3N6O2S/c1-19-5-4-6-28-35-14-26(40(19)28)30(42)39-10-8-24-25(18-43-27(24)17-39)29(41)36-22-12-20(11-21(13-22)31(32,33)34)15-38-9-7-23(16-38)37(2)3/h4-6,11-14,18,23H,7-10,15-17H2,1-3H3,(H,36,41).
What are the key properties of N-[3-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-5-(trifluoromethyl)phenyl]-6-(5-methylimidazo[1,2-a]pyridine-3-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
N-[3-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-5-(trifluoromethyl)phenyl]-6-(5-methylimidazo[1,2-a]pyridine-3-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide has a molecular weight of 610.71 g/mol, XLogP of 5.31, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-5-(trifluoromethyl)phenyl]-6-(5-methylimidazo[1,2-a]pyridine-3-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 172516966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).