3-fluoro-N-[2-[2-(hydroxymethyl)phenyl]-2-phenylethyl]-4-[[2-[(4-methyl-2-pyridinyl)amino]-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxamide

C30H26FN5O2S2 — CID 24849160

IUPAC3-fluoro-N-[2-[2-(hydroxymethyl)phenyl]-2-phenylethyl]-4-[[2-[(4-methyl-2-pyridinyl)amino]-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxamide
SMILESCc1ccnc(Nc2ncc(Sc3ccnc(C(=O)NCC(c4ccccc4)c4ccccc4CO)c3F)s2)c1
InChIInChI=1S/C30H26FN5O2S2/c1-19-11-13-32-25(15-19)36-30-35-17-26(40-30)39-24-12-14-33-28(27(24)31)29(38)34-16-23(20-7-3-2-4-8-20)22-10-6-5-9-21(22)18-37/h2-15,17,23,37H,16,18H2,1H3,(H,34,38)(H,32,35,36)
InChIKeyFZDDPBSXOBSRCP-UHFFFAOYSA-N
MW571.70 g/mol
LogP6.33
Rot. Bonds10

About 3-fluoro-N-[2-[2-(hydroxymethyl)phenyl]-2-phenylethyl]-4-[[2-[(4-methyl-2-pyridinyl)amino]-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxamide

3-fluoro-N-[2-[2-(hydroxymethyl)phenyl]-2-phenylethyl]-4-[[2-[(4-methyl-2-pyridinyl)amino]-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxamide (PubChem CID 24849160) has the molecular formula C30H26FN5O2S2 and a molecular weight of 571.70 g/mol. Its IUPAC name is 3-fluoro-N-[2-[2-(hydroxymethyl)phenyl]-2-phenylethyl]-4-[[2-[(4-methyl-2-pyridinyl)amino]-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-fluoro-N-[2-[2-(hydroxymethyl)phenyl]-2-phenylethyl]-4-[[2-[(4-methyl-2-pyridinyl)amino]-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxamide
PubChem CID24849160
Molecular FormulaC30H26FN5O2S2
Molecular Weight571.70 g/mol
Exact Mass571.15
IUPAC Name3-fluoro-N-[2-[2-(hydroxymethyl)phenyl]-2-phenylethyl]-4-[[2-[(4-methyl-2-pyridinyl)amino]-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxamide
SMILESCc1ccnc(Nc2ncc(Sc3ccnc(C(=O)NCC(c4ccccc4)c4ccccc4CO)c3F)s2)c1
InChIInChI=1S/C30H26FN5O2S2/c1-19-11-13-32-25(15-19)36-30-35-17-26(40-30)39-24-12-14-33-28(27(24)31)29(38)34-16-23(20-7-3-2-4-8-20)22-10-6-5-9-21(22)18-37/h2-15,17,23,37H,16,18H2,1H3,(H,34,38)(H,32,35,36)
InChIKeyFZDDPBSXOBSRCP-UHFFFAOYSA-N
XLogP6.33
TPSA100.03 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500571.70
LogP ≤ 56.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 3-fluoro-N-[2-[2-(hydroxymethyl)phenyl]-2-phenylethyl]-4-[[2-[(4-methyl-2-pyridinyl)amino]-1,3-thiazol-5-yl]sulfanyl]pyridine-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 3-fluoro-N-[2-[2-(hydroxymethyl)phenyl]-2-phenylethyl]-4-[[2-[(4-methyl-2-pyridinyl)amino]-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxamide?
The IUPAC name of 3-fluoro-N-[2-[2-(hydroxymethyl)phenyl]-2-phenylethyl]-4-[[2-[(4-methyl-2-pyridinyl)amino]-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxamide (CID 24849160) is 3-fluoro-N-[2-[2-(hydroxymethyl)phenyl]-2-phenylethyl]-4-[[2-[(4-methyl-2-pyridinyl)amino]-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxamide.
What is the SMILES notation for 3-fluoro-N-[2-[2-(hydroxymethyl)phenyl]-2-phenylethyl]-4-[[2-[(4-methyl-2-pyridinyl)amino]-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxamide?
The canonical SMILES for 3-fluoro-N-[2-[2-(hydroxymethyl)phenyl]-2-phenylethyl]-4-[[2-[(4-methyl-2-pyridinyl)amino]-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxamide is Cc1ccnc(Nc2ncc(Sc3ccnc(C(=O)NCC(c4ccccc4)c4ccccc4CO)c3F)s2)c1.
What is the InChIKey of 3-fluoro-N-[2-[2-(hydroxymethyl)phenyl]-2-phenylethyl]-4-[[2-[(4-methyl-2-pyridinyl)amino]-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxamide?
The InChIKey is FZDDPBSXOBSRCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26FN5O2S2/c1-19-11-13-32-25(15-19)36-30-35-17-26(40-30)39-24-12-14-33-28(27(24)31)29(38)34-16-23(20-7-3-2-4-8-20)22-10-6-5-9-21(22)18-37/h2-15,17,23,37H,16,18H2,1H3,(H,34,38)(H,32,35,36).
What are the key properties of 3-fluoro-N-[2-[2-(hydroxymethyl)phenyl]-2-phenylethyl]-4-[[2-[(4-methyl-2-pyridinyl)amino]-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxamide?
3-fluoro-N-[2-[2-(hydroxymethyl)phenyl]-2-phenylethyl]-4-[[2-[(4-methyl-2-pyridinyl)amino]-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxamide has a molecular weight of 571.70 g/mol, XLogP of 6.33, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[2-[2-(hydroxymethyl)phenyl]-2-phenylethyl]-4-[[2-[(4-methyl-2-pyridinyl)amino]-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxamide is sourced from PubChem (CID 24849160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).