1-(pyridin-4-ylmethyl)-N-[4-[3-[5-(trifluoromethoxy)-2-pyridinyl]cyclobutyl]-1,3-thiazol-2-yl]pyrrole-2-carboxamide

C24H20F3N5O2S — CID 154695465

IUPAC1-(pyridin-4-ylmethyl)-N-[4-[3-[5-(trifluoromethoxy)-2-pyridinyl]cyclobutyl]-1,3-thiazol-2-yl]pyrrole-2-carboxamide
SMILESO=C(Nc1nc(C2CC(c3ccc(OC(F)(F)F)cn3)C2)cs1)c1cccn1Cc1ccncc1
InChIInChI=1S/C24H20F3N5O2S/c25-24(26,27)34-18-3-4-19(29-12-18)16-10-17(11-16)20-14-35-23(30-20)31-22(33)21-2-1-9-32(21)13-15-5-7-28-8-6-15/h1-9,12,14,16-17H,10-11,13H2,(H,30,31,33)
InChIKeyUHHWWUPFSYVYOF-UHFFFAOYSA-N
MW499.52 g/mol
LogP5.59
Rot. Bonds7

About 1-(pyridin-4-ylmethyl)-N-[4-[3-[5-(trifluoromethoxy)-2-pyridinyl]cyclobutyl]-1,3-thiazol-2-yl]pyrrole-2-carboxamide

1-(pyridin-4-ylmethyl)-N-[4-[3-[5-(trifluoromethoxy)-2-pyridinyl]cyclobutyl]-1,3-thiazol-2-yl]pyrrole-2-carboxamide (PubChem CID 154695465) has the molecular formula C24H20F3N5O2S and a molecular weight of 499.52 g/mol. Its IUPAC name is 1-(pyridin-4-ylmethyl)-N-[4-[3-[5-(trifluoromethoxy)-2-pyridinyl]cyclobutyl]-1,3-thiazol-2-yl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-(pyridin-4-ylmethyl)-N-[4-[3-[5-(trifluoromethoxy)-2-pyridinyl]cyclobutyl]-1,3-thiazol-2-yl]pyrrole-2-carboxamide
PubChem CID154695465
Molecular FormulaC24H20F3N5O2S
Molecular Weight499.52 g/mol
Exact Mass499.13
IUPAC Name1-(pyridin-4-ylmethyl)-N-[4-[3-[5-(trifluoromethoxy)-2-pyridinyl]cyclobutyl]-1,3-thiazol-2-yl]pyrrole-2-carboxamide
SMILESO=C(Nc1nc(C2CC(c3ccc(OC(F)(F)F)cn3)C2)cs1)c1cccn1Cc1ccncc1
InChIInChI=1S/C24H20F3N5O2S/c25-24(26,27)34-18-3-4-19(29-12-18)16-10-17(11-16)20-14-35-23(30-20)31-22(33)21-2-1-9-32(21)13-15-5-7-28-8-6-15/h1-9,12,14,16-17H,10-11,13H2,(H,30,31,33)
InChIKeyUHHWWUPFSYVYOF-UHFFFAOYSA-N
XLogP5.59
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.52
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-(pyridin-4-ylmethyl)-N-[4-[3-[5-(trifluoromethoxy)-2-pyridinyl]cyclobutyl]-1,3-thiazol-2-yl]pyrrole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(pyridin-4-ylmethyl)-N-[4-[3-[5-(trifluoromethoxy)-2-pyridinyl]cyclobutyl]-1,3-thiazol-2-yl]pyrrole-2-carboxamide?
The IUPAC name of 1-(pyridin-4-ylmethyl)-N-[4-[3-[5-(trifluoromethoxy)-2-pyridinyl]cyclobutyl]-1,3-thiazol-2-yl]pyrrole-2-carboxamide (CID 154695465) is 1-(pyridin-4-ylmethyl)-N-[4-[3-[5-(trifluoromethoxy)-2-pyridinyl]cyclobutyl]-1,3-thiazol-2-yl]pyrrole-2-carboxamide.
What is the SMILES notation for 1-(pyridin-4-ylmethyl)-N-[4-[3-[5-(trifluoromethoxy)-2-pyridinyl]cyclobutyl]-1,3-thiazol-2-yl]pyrrole-2-carboxamide?
The canonical SMILES for 1-(pyridin-4-ylmethyl)-N-[4-[3-[5-(trifluoromethoxy)-2-pyridinyl]cyclobutyl]-1,3-thiazol-2-yl]pyrrole-2-carboxamide is O=C(Nc1nc(C2CC(c3ccc(OC(F)(F)F)cn3)C2)cs1)c1cccn1Cc1ccncc1.
What is the InChIKey of 1-(pyridin-4-ylmethyl)-N-[4-[3-[5-(trifluoromethoxy)-2-pyridinyl]cyclobutyl]-1,3-thiazol-2-yl]pyrrole-2-carboxamide?
The InChIKey is UHHWWUPFSYVYOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N5O2S/c25-24(26,27)34-18-3-4-19(29-12-18)16-10-17(11-16)20-14-35-23(30-20)31-22(33)21-2-1-9-32(21)13-15-5-7-28-8-6-15/h1-9,12,14,16-17H,10-11,13H2,(H,30,31,33).
What are the key properties of 1-(pyridin-4-ylmethyl)-N-[4-[3-[5-(trifluoromethoxy)-2-pyridinyl]cyclobutyl]-1,3-thiazol-2-yl]pyrrole-2-carboxamide?
1-(pyridin-4-ylmethyl)-N-[4-[3-[5-(trifluoromethoxy)-2-pyridinyl]cyclobutyl]-1,3-thiazol-2-yl]pyrrole-2-carboxamide has a molecular weight of 499.52 g/mol, XLogP of 5.59, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pyridin-4-ylmethyl)-N-[4-[3-[5-(trifluoromethoxy)-2-pyridinyl]cyclobutyl]-1,3-thiazol-2-yl]pyrrole-2-carboxamide is sourced from PubChem (CID 154695465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).