N-[4-[[5-fluoro-2-[3-[4-hydroxy-2-(morpholin-4-ylmethyl)phenyl]phenoxy]pyridine-3-carbonyl]amino]cyclohexyl]-2-(hydroxymethyl)-1,3-thiazole-4-carboxamide

C34H36FN5O6S — CID 59190485

IUPACN-[4-[[5-fluoro-2-[3-[4-hydroxy-2-(morpholin-4-ylmethyl)phenyl]phenoxy]pyridine-3-carbonyl]amino]cyclohexyl]-2-(hydroxymethyl)-1,3-thiazole-4-carboxamide
SMILESO=C(NC1CCC(NC(=O)c2cc(F)cnc2Oc2cccc(-c3ccc(O)cc3CN3CCOCC3)c2)CC1)c1csc(CO)n1
InChIInChI=1S/C34H36FN5O6S/c35-23-16-29(32(43)37-24-4-6-25(7-5-24)38-33(44)30-20-47-31(19-41)39-30)34(36-17-23)46-27-3-1-2-21(15-27)28-9-8-26(42)14-22(28)18-40-10-12-45-13-11-40/h1-3,8-9,14-17,20,24-25,41-42H,4-7,10-13,18-19H2,(H,37,43)(H,38,44)
InChIKeyIDVQQNLNHIMGCO-UHFFFAOYSA-N
MW661.76 g/mol
LogP4.64
Rot. Bonds10

About N-[4-[[5-fluoro-2-[3-[4-hydroxy-2-(morpholin-4-ylmethyl)phenyl]phenoxy]pyridine-3-carbonyl]amino]cyclohexyl]-2-(hydroxymethyl)-1,3-thiazole-4-carboxamide

N-[4-[[5-fluoro-2-[3-[4-hydroxy-2-(morpholin-4-ylmethyl)phenyl]phenoxy]pyridine-3-carbonyl]amino]cyclohexyl]-2-(hydroxymethyl)-1,3-thiazole-4-carboxamide (PubChem CID 59190485) has the molecular formula C34H36FN5O6S and a molecular weight of 661.76 g/mol. Its IUPAC name is N-[4-[[5-fluoro-2-[3-[4-hydroxy-2-(morpholin-4-ylmethyl)phenyl]phenoxy]pyridine-3-carbonyl]amino]cyclohexyl]-2-(hydroxymethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-[[5-fluoro-2-[3-[4-hydroxy-2-(morpholin-4-ylmethyl)phenyl]phenoxy]pyridine-3-carbonyl]amino]cyclohexyl]-2-(hydroxymethyl)-1,3-thiazole-4-carboxamide
PubChem CID59190485
Molecular FormulaC34H36FN5O6S
Molecular Weight661.76 g/mol
Exact Mass661.24
IUPAC NameN-[4-[[5-fluoro-2-[3-[4-hydroxy-2-(morpholin-4-ylmethyl)phenyl]phenoxy]pyridine-3-carbonyl]amino]cyclohexyl]-2-(hydroxymethyl)-1,3-thiazole-4-carboxamide
SMILESO=C(NC1CCC(NC(=O)c2cc(F)cnc2Oc2cccc(-c3ccc(O)cc3CN3CCOCC3)c2)CC1)c1csc(CO)n1
InChIInChI=1S/C34H36FN5O6S/c35-23-16-29(32(43)37-24-4-6-25(7-5-24)38-33(44)30-20-47-31(19-41)39-30)34(36-17-23)46-27-3-1-2-21(15-27)28-9-8-26(42)14-22(28)18-40-10-12-45-13-11-40/h1-3,8-9,14-17,20,24-25,41-42H,4-7,10-13,18-19H2,(H,37,43)(H,38,44)
InChIKeyIDVQQNLNHIMGCO-UHFFFAOYSA-N
XLogP4.64
TPSA146.14 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms47
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500661.76
LogP ≤ 54.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze N-[4-[[5-fluoro-2-[3-[4-hydroxy-2-(morpholin-4-ylmethyl)phenyl]phenoxy]pyridine-3-carbonyl]amino]cyclohexyl]-2-(hydroxymethyl)-1,3-thiazole-4-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-[[5-fluoro-2-[3-[4-hydroxy-2-(morpholin-4-ylmethyl)phenyl]phenoxy]pyridine-3-carbonyl]amino]cyclohexyl]-2-(hydroxymethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[4-[[5-fluoro-2-[3-[4-hydroxy-2-(morpholin-4-ylmethyl)phenyl]phenoxy]pyridine-3-carbonyl]amino]cyclohexyl]-2-(hydroxymethyl)-1,3-thiazole-4-carboxamide (CID 59190485) is N-[4-[[5-fluoro-2-[3-[4-hydroxy-2-(morpholin-4-ylmethyl)phenyl]phenoxy]pyridine-3-carbonyl]amino]cyclohexyl]-2-(hydroxymethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[4-[[5-fluoro-2-[3-[4-hydroxy-2-(morpholin-4-ylmethyl)phenyl]phenoxy]pyridine-3-carbonyl]amino]cyclohexyl]-2-(hydroxymethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[4-[[5-fluoro-2-[3-[4-hydroxy-2-(morpholin-4-ylmethyl)phenyl]phenoxy]pyridine-3-carbonyl]amino]cyclohexyl]-2-(hydroxymethyl)-1,3-thiazole-4-carboxamide is O=C(NC1CCC(NC(=O)c2cc(F)cnc2Oc2cccc(-c3ccc(O)cc3CN3CCOCC3)c2)CC1)c1csc(CO)n1.
What is the InChIKey of N-[4-[[5-fluoro-2-[3-[4-hydroxy-2-(morpholin-4-ylmethyl)phenyl]phenoxy]pyridine-3-carbonyl]amino]cyclohexyl]-2-(hydroxymethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is IDVQQNLNHIMGCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H36FN5O6S/c35-23-16-29(32(43)37-24-4-6-25(7-5-24)38-33(44)30-20-47-31(19-41)39-30)34(36-17-23)46-27-3-1-2-21(15-27)28-9-8-26(42)14-22(28)18-40-10-12-45-13-11-40/h1-3,8-9,14-17,20,24-25,41-42H,4-7,10-13,18-19H2,(H,37,43)(H,38,44).
What are the key properties of N-[4-[[5-fluoro-2-[3-[4-hydroxy-2-(morpholin-4-ylmethyl)phenyl]phenoxy]pyridine-3-carbonyl]amino]cyclohexyl]-2-(hydroxymethyl)-1,3-thiazole-4-carboxamide?
N-[4-[[5-fluoro-2-[3-[4-hydroxy-2-(morpholin-4-ylmethyl)phenyl]phenoxy]pyridine-3-carbonyl]amino]cyclohexyl]-2-(hydroxymethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 661.76 g/mol, XLogP of 4.64, 10 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[5-fluoro-2-[3-[4-hydroxy-2-(morpholin-4-ylmethyl)phenyl]phenoxy]pyridine-3-carbonyl]amino]cyclohexyl]-2-(hydroxymethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 59190485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).