N-methyl-5-(8-methyl-2,3-dihydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-6-propan-2-yl-N-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]-4H-thieno[3,2-b]pyrrole-2-carboxamide

C26H33F3N6OS — CID 164876339

About N-methyl-5-(8-methyl-2,3-dihydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-6-propan-2-yl-N-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]-4H-thieno[3,2-b]pyrrole-2-carboxamide

N-methyl-5-(8-methyl-2,3-dihydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-6-propan-2-yl-N-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]-4H-thieno[3,2-b]pyrrole-2-carboxamide (PubChem CID 164876339) has the molecular formula C26H33F3N6OS and a molecular weight of 534.65 g/mol. Its IUPAC name is N-methyl-5-(8-methyl-2,3-dihydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-6-propan-2-yl-N-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]-4H-thieno[3,2-b]pyrrole-2-carboxamide.

Molecular Properties

• Compound Name: N-methyl-5-(8-methyl-2,3-dihydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-6-propan-2-yl-N-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]-4H-thieno[3,2-b]pyrrole-2-carboxamide
• PubChem CID: 164876339
• Molecular Formula: C26H33F3N6OS
• Molecular Weight: 534.65 g/mol
• Exact Mass: 534.24
• IUPAC Name: N-methyl-5-(8-methyl-2,3-dihydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-6-propan-2-yl-N-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]-4H-thieno[3,2-b]pyrrole-2-carboxamide
• SMILES: CC1=CC(c2[nH]c3cc(C(=O)N(C)C4CCN(CCC(F)(F)F)CC4)sc3c2C(C)C)=CN2NCN=C12
• InChI: InChI=1S/C26H33F3N6OS/c1-15(2)21-22(17-11-16(3)24-30-14-31-35(24)13-17)32-19-12-20(37-23(19)21)25(36)33(4)18-5-8-34(9-6-18)10-7-26(27,28)29/h11-13,15,18,31-32H,5-10,14H2,1-4H3
• InChIKey: OQGOQXLZECGJIW-UHFFFAOYSA-N
• XLogP: 5.32
• TPSA: 66.97 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	534.65
LogP ≤ 5	5.32
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-(8-methyl-2,3-dihydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-6-propan-2-yl-N-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]-4H-thieno[3,2-b]pyrrole-2-carboxamide?

The IUPAC name of N-methyl-5-(8-methyl-2,3-dihydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-6-propan-2-yl-N-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]-4H-thieno[3,2-b]pyrrole-2-carboxamide (CID 164876339) is N-methyl-5-(8-methyl-2,3-dihydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-6-propan-2-yl-N-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]-4H-thieno[3,2-b]pyrrole-2-carboxamide.

What is the SMILES notation for N-methyl-5-(8-methyl-2,3-dihydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-6-propan-2-yl-N-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]-4H-thieno[3,2-b]pyrrole-2-carboxamide?

The canonical SMILES for N-methyl-5-(8-methyl-2,3-dihydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-6-propan-2-yl-N-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]-4H-thieno[3,2-b]pyrrole-2-carboxamide is CC1=CC(c2[nH]c3cc(C(=O)N(C)C4CCN(CCC(F)(F)F)CC4)sc3c2C(C)C)=CN2NCN=C12.

What is the InChIKey of N-methyl-5-(8-methyl-2,3-dihydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-6-propan-2-yl-N-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]-4H-thieno[3,2-b]pyrrole-2-carboxamide?

The InChIKey is OQGOQXLZECGJIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33F3N6OS/c1-15(2)21-22(17-11-16(3)24-30-14-31-35(24)13-17)32-19-12-20(37-23(19)21)25(36)33(4)18-5-8-34(9-6-18)10-7-26(27,28)29/h11-13,15,18,31-32H,5-10,14H2,1-4H3.

What are the key properties of N-methyl-5-(8-methyl-2,3-dihydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-6-propan-2-yl-N-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]-4H-thieno[3,2-b]pyrrole-2-carboxamide?

N-methyl-5-(8-methyl-2,3-dihydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-6-propan-2-yl-N-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]-4H-thieno[3,2-b]pyrrole-2-carboxamide has a molecular weight of 534.65 g/mol, XLogP of 5.32, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-5-(8-methyl-2,3-dihydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-6-propan-2-yl-N-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]-4H-thieno[3,2-b]pyrrole-2-carboxamide is sourced from PubChem (CID 164876339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).