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

C32H36F3N7OS — CID 165142847

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

N-[3-[[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methyl]-5-(trifluoromethyl)phenyl]-6-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (PubChem CID 165142847) has the molecular formula C32H36F3N7OS and a molecular weight of 623.75 g/mol. Its IUPAC name is N-[3-[[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methyl]-5-(trifluoromethyl)phenyl]-6-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[3-[[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methyl]-5-(trifluoromethyl)phenyl]-6-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
• PubChem CID: 165142847
• Molecular Formula: C32H36F3N7OS
• Molecular Weight: 623.75 g/mol
• Exact Mass: 623.27
• IUPAC Name: N-[3-[[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methyl]-5-(trifluoromethyl)phenyl]-6-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
• SMILES: CN(C)[C@@H]1CCN(Cc2cc(NC(=O)c3csc4c3CCN(Cc3cncc(-c5cnn(C)c5)c3)C4)cc(C(F)(F)F)c2)C1
• InChI: InChI=1S/C32H36F3N7OS/c1-39(2)27-4-6-41(18-27)15-21-9-25(32(33,34)35)11-26(10-21)38-31(43)29-20-44-30-19-42(7-5-28(29)30)16-22-8-23(13-36-12-22)24-14-37-40(3)17-24/h8-14,17,20,27H,4-7,15-16,18-19H2,1-3H3,(H,38,43)/t27-/m1/s1
• InChIKey: ZIAKANLDVXGZOY-HHHXNRCGSA-N
• XLogP: 5.51
• TPSA: 69.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	623.75
LogP ≤ 5	5.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methyl]-5-(trifluoromethyl)phenyl]-6-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?

The IUPAC name of N-[3-[[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methyl]-5-(trifluoromethyl)phenyl]-6-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (CID 165142847) is N-[3-[[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methyl]-5-(trifluoromethyl)phenyl]-6-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.

What is the SMILES notation for N-[3-[[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methyl]-5-(trifluoromethyl)phenyl]-6-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?

The canonical SMILES for N-[3-[[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methyl]-5-(trifluoromethyl)phenyl]-6-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is CN(C)[C@@H]1CCN(Cc2cc(NC(=O)c3csc4c3CCN(Cc3cncc(-c5cnn(C)c5)c3)C4)cc(C(F)(F)F)c2)C1.

What is the InChIKey of N-[3-[[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methyl]-5-(trifluoromethyl)phenyl]-6-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?

The InChIKey is ZIAKANLDVXGZOY-HHHXNRCGSA-N. The full InChI is InChI=1S/C32H36F3N7OS/c1-39(2)27-4-6-41(18-27)15-21-9-25(32(33,34)35)11-26(10-21)38-31(43)29-20-44-30-19-42(7-5-28(29)30)16-22-8-23(13-36-12-22)24-14-37-40(3)17-24/h8-14,17,20,27H,4-7,15-16,18-19H2,1-3H3,(H,38,43)/t27-/m1/s1.

What are the key properties of N-[3-[[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methyl]-5-(trifluoromethyl)phenyl]-6-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?

N-[3-[[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methyl]-5-(trifluoromethyl)phenyl]-6-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide has a molecular weight of 623.75 g/mol, XLogP of 5.51, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methyl]-5-(trifluoromethyl)phenyl]-6-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 165142847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).