N-[4-[(2R)-1-(2,6-difluorophenyl)pyrrolidin-2-yl]-1,3-thiazol-2-yl]-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide

C24H21F2N5OS — CID 154695510

IUPACN-[4-[(2R)-1-(2,6-difluorophenyl)pyrrolidin-2-yl]-1,3-thiazol-2-yl]-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide
SMILESO=C(Nc1nc([C@H]2CCCN2c2c(F)cccc2F)cs1)c1cccn1Cc1ccncc1
InChIInChI=1S/C24H21F2N5OS/c25-17-4-1-5-18(26)22(17)31-13-3-6-20(31)19-15-33-24(28-19)29-23(32)21-7-2-12-30(21)14-16-8-10-27-11-9-16/h1-2,4-5,7-12,15,20H,3,6,13-14H2,(H,28,29,32)/t20-/m1/s1
InChIKeyXFTGDMZGJBZZMF-HXUWFJFHSA-N
MW465.53 g/mol
LogP5.26
Rot. Bonds6

About N-[4-[(2R)-1-(2,6-difluorophenyl)pyrrolidin-2-yl]-1,3-thiazol-2-yl]-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide

N-[4-[(2R)-1-(2,6-difluorophenyl)pyrrolidin-2-yl]-1,3-thiazol-2-yl]-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide (PubChem CID 154695510) has the molecular formula C24H21F2N5OS and a molecular weight of 465.53 g/mol. Its IUPAC name is N-[4-[(2R)-1-(2,6-difluorophenyl)pyrrolidin-2-yl]-1,3-thiazol-2-yl]-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(2R)-1-(2,6-difluorophenyl)pyrrolidin-2-yl]-1,3-thiazol-2-yl]-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide
PubChem CID154695510
Molecular FormulaC24H21F2N5OS
Molecular Weight465.53 g/mol
Exact Mass465.14
IUPAC NameN-[4-[(2R)-1-(2,6-difluorophenyl)pyrrolidin-2-yl]-1,3-thiazol-2-yl]-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide
SMILESO=C(Nc1nc([C@H]2CCCN2c2c(F)cccc2F)cs1)c1cccn1Cc1ccncc1
InChIInChI=1S/C24H21F2N5OS/c25-17-4-1-5-18(26)22(17)31-13-3-6-20(31)19-15-33-24(28-19)29-23(32)21-7-2-12-30(21)14-16-8-10-27-11-9-16/h1-2,4-5,7-12,15,20H,3,6,13-14H2,(H,28,29,32)/t20-/m1/s1
InChIKeyXFTGDMZGJBZZMF-HXUWFJFHSA-N
XLogP5.26
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.53
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4-[(2R)-1-(2,6-difluorophenyl)pyrrolidin-2-yl]-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-[(2R)-1-(2,6-difluorophenyl)pyrrolidin-2-yl]-1,3-thiazol-2-yl]-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide?
The IUPAC name of N-[4-[(2R)-1-(2,6-difluorophenyl)pyrrolidin-2-yl]-1,3-thiazol-2-yl]-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide (CID 154695510) is N-[4-[(2R)-1-(2,6-difluorophenyl)pyrrolidin-2-yl]-1,3-thiazol-2-yl]-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide.
What is the SMILES notation for N-[4-[(2R)-1-(2,6-difluorophenyl)pyrrolidin-2-yl]-1,3-thiazol-2-yl]-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide?
The canonical SMILES for N-[4-[(2R)-1-(2,6-difluorophenyl)pyrrolidin-2-yl]-1,3-thiazol-2-yl]-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide is O=C(Nc1nc([C@H]2CCCN2c2c(F)cccc2F)cs1)c1cccn1Cc1ccncc1.
What is the InChIKey of N-[4-[(2R)-1-(2,6-difluorophenyl)pyrrolidin-2-yl]-1,3-thiazol-2-yl]-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide?
The InChIKey is XFTGDMZGJBZZMF-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H21F2N5OS/c25-17-4-1-5-18(26)22(17)31-13-3-6-20(31)19-15-33-24(28-19)29-23(32)21-7-2-12-30(21)14-16-8-10-27-11-9-16/h1-2,4-5,7-12,15,20H,3,6,13-14H2,(H,28,29,32)/t20-/m1/s1.
What are the key properties of N-[4-[(2R)-1-(2,6-difluorophenyl)pyrrolidin-2-yl]-1,3-thiazol-2-yl]-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide?
N-[4-[(2R)-1-(2,6-difluorophenyl)pyrrolidin-2-yl]-1,3-thiazol-2-yl]-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide has a molecular weight of 465.53 g/mol, XLogP of 5.26, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2R)-1-(2,6-difluorophenyl)pyrrolidin-2-yl]-1,3-thiazol-2-yl]-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide is sourced from PubChem (CID 154695510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).