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

C24H27F3N6OS — CID 164876406

IUPACN-methyl-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-6-propan-2-yl-N-[(3S,5R)-5-(trifluoromethyl)piperidin-3-yl]-4H-thieno[3,2-b]pyrrole-2-carboxamide
SMILESCc1cc(-c2[nH]c3cc(C(=O)N(C)[C@@H]4CNC[C@H](C(F)(F)F)C4)sc3c2C(C)C)cn2ncnc12
InChIInChI=1S/C24H27F3N6OS/c1-12(2)19-20(14-5-13(3)22-29-11-30-33(22)10-14)31-17-7-18(35-21(17)19)23(34)32(4)16-6-15(8-28-9-16)24(25,26)27/h5,7,10-12,15-16,28,31H,6,8-9H2,1-4H3/t15-,16+/m1/s1
InChIKeyLAENEQBHTQTBIY-CVEARBPZSA-N
MW504.58 g/mol
LogP4.98
Rot. Bonds4

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

N-methyl-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-6-propan-2-yl-N-[(3S,5R)-5-(trifluoromethyl)piperidin-3-yl]-4H-thieno[3,2-b]pyrrole-2-carboxamide (PubChem CID 164876406) has the molecular formula C24H27F3N6OS and a molecular weight of 504.58 g/mol. Its IUPAC name is N-methyl-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-6-propan-2-yl-N-[(3S,5R)-5-(trifluoromethyl)piperidin-3-yl]-4H-thieno[3,2-b]pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-methyl-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-6-propan-2-yl-N-[(3S,5R)-5-(trifluoromethyl)piperidin-3-yl]-4H-thieno[3,2-b]pyrrole-2-carboxamide
PubChem CID164876406
Molecular FormulaC24H27F3N6OS
Molecular Weight504.58 g/mol
Exact Mass504.19
IUPAC NameN-methyl-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-6-propan-2-yl-N-[(3S,5R)-5-(trifluoromethyl)piperidin-3-yl]-4H-thieno[3,2-b]pyrrole-2-carboxamide
SMILESCc1cc(-c2[nH]c3cc(C(=O)N(C)[C@@H]4CNC[C@H](C(F)(F)F)C4)sc3c2C(C)C)cn2ncnc12
InChIInChI=1S/C24H27F3N6OS/c1-12(2)19-20(14-5-13(3)22-29-11-30-33(22)10-14)31-17-7-18(35-21(17)19)23(34)32(4)16-6-15(8-28-9-16)24(25,26)27/h5,7,10-12,15-16,28,31H,6,8-9H2,1-4H3/t15-,16+/m1/s1
InChIKeyLAENEQBHTQTBIY-CVEARBPZSA-N
XLogP4.98
TPSA78.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.58
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-6-propan-2-yl-N-[(3S,5R)-5-(trifluoromethyl)piperidin-3-yl]-4H-thieno[3,2-b]pyrrole-2-carboxamide?
The IUPAC name of N-methyl-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-6-propan-2-yl-N-[(3S,5R)-5-(trifluoromethyl)piperidin-3-yl]-4H-thieno[3,2-b]pyrrole-2-carboxamide (CID 164876406) is N-methyl-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-6-propan-2-yl-N-[(3S,5R)-5-(trifluoromethyl)piperidin-3-yl]-4H-thieno[3,2-b]pyrrole-2-carboxamide.
What is the SMILES notation for N-methyl-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-6-propan-2-yl-N-[(3S,5R)-5-(trifluoromethyl)piperidin-3-yl]-4H-thieno[3,2-b]pyrrole-2-carboxamide?
The canonical SMILES for N-methyl-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-6-propan-2-yl-N-[(3S,5R)-5-(trifluoromethyl)piperidin-3-yl]-4H-thieno[3,2-b]pyrrole-2-carboxamide is Cc1cc(-c2[nH]c3cc(C(=O)N(C)[C@@H]4CNC[C@H](C(F)(F)F)C4)sc3c2C(C)C)cn2ncnc12.
What is the InChIKey of N-methyl-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-6-propan-2-yl-N-[(3S,5R)-5-(trifluoromethyl)piperidin-3-yl]-4H-thieno[3,2-b]pyrrole-2-carboxamide?
The InChIKey is LAENEQBHTQTBIY-CVEARBPZSA-N. The full InChI is InChI=1S/C24H27F3N6OS/c1-12(2)19-20(14-5-13(3)22-29-11-30-33(22)10-14)31-17-7-18(35-21(17)19)23(34)32(4)16-6-15(8-28-9-16)24(25,26)27/h5,7,10-12,15-16,28,31H,6,8-9H2,1-4H3/t15-,16+/m1/s1.
What are the key properties of N-methyl-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-6-propan-2-yl-N-[(3S,5R)-5-(trifluoromethyl)piperidin-3-yl]-4H-thieno[3,2-b]pyrrole-2-carboxamide?
N-methyl-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-6-propan-2-yl-N-[(3S,5R)-5-(trifluoromethyl)piperidin-3-yl]-4H-thieno[3,2-b]pyrrole-2-carboxamide has a molecular weight of 504.58 g/mol, XLogP of 4.98, 4 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-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-6-propan-2-yl-N-[(3S,5R)-5-(trifluoromethyl)piperidin-3-yl]-4H-thieno[3,2-b]pyrrole-2-carboxamide is sourced from PubChem (CID 164876406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).