N-[4-(3-fluoro-3-pyridin-2-ylcyclobutyl)-1,3-thiazol-2-yl]-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide

C23H20FN5OS — CID 154695115

IUPACN-[4-(3-fluoro-3-pyridin-2-ylcyclobutyl)-1,3-thiazol-2-yl]-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide
SMILESO=C(Nc1nc(C2CC(F)(c3ccccn3)C2)cs1)c1cccn1Cc1ccncc1
InChIInChI=1S/C23H20FN5OS/c24-23(20-5-1-2-8-26-20)12-17(13-23)18-15-31-22(27-18)28-21(30)19-4-3-11-29(19)14-16-6-9-25-10-7-16/h1-11,15,17H,12-14H2,(H,27,28,30)
InChIKeyXHLSFMQZSKLDDV-UHFFFAOYSA-N
MW433.51 g/mol
LogP4.78
Rot. Bonds6

About N-[4-(3-fluoro-3-pyridin-2-ylcyclobutyl)-1,3-thiazol-2-yl]-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide

N-[4-(3-fluoro-3-pyridin-2-ylcyclobutyl)-1,3-thiazol-2-yl]-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide (PubChem CID 154695115) has the molecular formula C23H20FN5OS and a molecular weight of 433.51 g/mol. Its IUPAC name is N-[4-(3-fluoro-3-pyridin-2-ylcyclobutyl)-1,3-thiazol-2-yl]-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[4-(3-fluoro-3-pyridin-2-ylcyclobutyl)-1,3-thiazol-2-yl]-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide
PubChem CID154695115
Molecular FormulaC23H20FN5OS
Molecular Weight433.51 g/mol
Exact Mass433.14
IUPAC NameN-[4-(3-fluoro-3-pyridin-2-ylcyclobutyl)-1,3-thiazol-2-yl]-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide
SMILESO=C(Nc1nc(C2CC(F)(c3ccccn3)C2)cs1)c1cccn1Cc1ccncc1
InChIInChI=1S/C23H20FN5OS/c24-23(20-5-1-2-8-26-20)12-17(13-23)18-15-31-22(27-18)28-21(30)19-4-3-11-29(19)14-16-6-9-25-10-7-16/h1-11,15,17H,12-14H2,(H,27,28,30)
InChIKeyXHLSFMQZSKLDDV-UHFFFAOYSA-N
XLogP4.78
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4-(3-fluoro-3-pyridin-2-ylcyclobutyl)-1,3-thiazol-2-yl]-1-(pyridin-4-ylmethyl)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 N-[4-(3-fluoro-3-pyridin-2-ylcyclobutyl)-1,3-thiazol-2-yl]-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide?
The IUPAC name of N-[4-(3-fluoro-3-pyridin-2-ylcyclobutyl)-1,3-thiazol-2-yl]-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide (CID 154695115) is N-[4-(3-fluoro-3-pyridin-2-ylcyclobutyl)-1,3-thiazol-2-yl]-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide.
What is the SMILES notation for N-[4-(3-fluoro-3-pyridin-2-ylcyclobutyl)-1,3-thiazol-2-yl]-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide?
The canonical SMILES for N-[4-(3-fluoro-3-pyridin-2-ylcyclobutyl)-1,3-thiazol-2-yl]-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide is O=C(Nc1nc(C2CC(F)(c3ccccn3)C2)cs1)c1cccn1Cc1ccncc1.
What is the InChIKey of N-[4-(3-fluoro-3-pyridin-2-ylcyclobutyl)-1,3-thiazol-2-yl]-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide?
The InChIKey is XHLSFMQZSKLDDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN5OS/c24-23(20-5-1-2-8-26-20)12-17(13-23)18-15-31-22(27-18)28-21(30)19-4-3-11-29(19)14-16-6-9-25-10-7-16/h1-11,15,17H,12-14H2,(H,27,28,30).
What are the key properties of N-[4-(3-fluoro-3-pyridin-2-ylcyclobutyl)-1,3-thiazol-2-yl]-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide?
N-[4-(3-fluoro-3-pyridin-2-ylcyclobutyl)-1,3-thiazol-2-yl]-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide has a molecular weight of 433.51 g/mol, XLogP of 4.78, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-fluoro-3-pyridin-2-ylcyclobutyl)-1,3-thiazol-2-yl]-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide is sourced from PubChem (CID 154695115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).