N-[4-[(1,5-dimethylpyrazol-3-yl)methylamino]cyclohexyl]-5-fluoro-2-[3-[4-hydroxy-2-(morpholin-4-ylmethyl)phenyl]phenoxy]pyridine-3-carboxamide

C35H41FN6O4 — CID 59190512

IUPACN-[4-[(1,5-dimethylpyrazol-3-yl)methylamino]cyclohexyl]-5-fluoro-2-[3-[4-hydroxy-2-(morpholin-4-ylmethyl)phenyl]phenoxy]pyridine-3-carboxamide
SMILESCc1cc(CNC2CCC(NC(=O)c3cc(F)cnc3Oc3cccc(-c4ccc(O)cc4CN4CCOCC4)c3)CC2)nn1C
InChIInChI=1S/C35H41FN6O4/c1-23-16-29(40-41(23)2)21-37-27-6-8-28(9-7-27)39-34(44)33-19-26(36)20-38-35(33)46-31-5-3-4-24(18-31)32-11-10-30(43)17-25(32)22-42-12-14-45-15-13-42/h3-5,10-11,16-20,27-28,37,43H,6-9,12-15,21-22H2,1-2H3,(H,39,44)
InChIKeyHBIYRHHYOLZTAA-UHFFFAOYSA-N
MW628.75 g/mol
LogP5.09
Rot. Bonds10

About N-[4-[(1,5-dimethylpyrazol-3-yl)methylamino]cyclohexyl]-5-fluoro-2-[3-[4-hydroxy-2-(morpholin-4-ylmethyl)phenyl]phenoxy]pyridine-3-carboxamide

N-[4-[(1,5-dimethylpyrazol-3-yl)methylamino]cyclohexyl]-5-fluoro-2-[3-[4-hydroxy-2-(morpholin-4-ylmethyl)phenyl]phenoxy]pyridine-3-carboxamide (PubChem CID 59190512) has the molecular formula C35H41FN6O4 and a molecular weight of 628.75 g/mol. Its IUPAC name is N-[4-[(1,5-dimethylpyrazol-3-yl)methylamino]cyclohexyl]-5-fluoro-2-[3-[4-hydroxy-2-(morpholin-4-ylmethyl)phenyl]phenoxy]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[(1,5-dimethylpyrazol-3-yl)methylamino]cyclohexyl]-5-fluoro-2-[3-[4-hydroxy-2-(morpholin-4-ylmethyl)phenyl]phenoxy]pyridine-3-carboxamide
PubChem CID59190512
Molecular FormulaC35H41FN6O4
Molecular Weight628.75 g/mol
Exact Mass628.32
IUPAC NameN-[4-[(1,5-dimethylpyrazol-3-yl)methylamino]cyclohexyl]-5-fluoro-2-[3-[4-hydroxy-2-(morpholin-4-ylmethyl)phenyl]phenoxy]pyridine-3-carboxamide
SMILESCc1cc(CNC2CCC(NC(=O)c3cc(F)cnc3Oc3cccc(-c4ccc(O)cc4CN4CCOCC4)c3)CC2)nn1C
InChIInChI=1S/C35H41FN6O4/c1-23-16-29(40-41(23)2)21-37-27-6-8-28(9-7-27)39-34(44)33-19-26(36)20-38-35(33)46-31-5-3-4-24(18-31)32-11-10-30(43)17-25(32)22-42-12-14-45-15-13-42/h3-5,10-11,16-20,27-28,37,43H,6-9,12-15,21-22H2,1-2H3,(H,39,44)
InChIKeyHBIYRHHYOLZTAA-UHFFFAOYSA-N
XLogP5.09
TPSA113.77 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500628.75
LogP ≤ 55.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(1,5-dimethylpyrazol-3-yl)methylamino]cyclohexyl]-5-fluoro-2-[3-[4-hydroxy-2-(morpholin-4-ylmethyl)phenyl]phenoxy]pyridine-3-carboxamide?
The IUPAC name of N-[4-[(1,5-dimethylpyrazol-3-yl)methylamino]cyclohexyl]-5-fluoro-2-[3-[4-hydroxy-2-(morpholin-4-ylmethyl)phenyl]phenoxy]pyridine-3-carboxamide (CID 59190512) is N-[4-[(1,5-dimethylpyrazol-3-yl)methylamino]cyclohexyl]-5-fluoro-2-[3-[4-hydroxy-2-(morpholin-4-ylmethyl)phenyl]phenoxy]pyridine-3-carboxamide.
What is the SMILES notation for N-[4-[(1,5-dimethylpyrazol-3-yl)methylamino]cyclohexyl]-5-fluoro-2-[3-[4-hydroxy-2-(morpholin-4-ylmethyl)phenyl]phenoxy]pyridine-3-carboxamide?
The canonical SMILES for N-[4-[(1,5-dimethylpyrazol-3-yl)methylamino]cyclohexyl]-5-fluoro-2-[3-[4-hydroxy-2-(morpholin-4-ylmethyl)phenyl]phenoxy]pyridine-3-carboxamide is Cc1cc(CNC2CCC(NC(=O)c3cc(F)cnc3Oc3cccc(-c4ccc(O)cc4CN4CCOCC4)c3)CC2)nn1C.
What is the InChIKey of N-[4-[(1,5-dimethylpyrazol-3-yl)methylamino]cyclohexyl]-5-fluoro-2-[3-[4-hydroxy-2-(morpholin-4-ylmethyl)phenyl]phenoxy]pyridine-3-carboxamide?
The InChIKey is HBIYRHHYOLZTAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H41FN6O4/c1-23-16-29(40-41(23)2)21-37-27-6-8-28(9-7-27)39-34(44)33-19-26(36)20-38-35(33)46-31-5-3-4-24(18-31)32-11-10-30(43)17-25(32)22-42-12-14-45-15-13-42/h3-5,10-11,16-20,27-28,37,43H,6-9,12-15,21-22H2,1-2H3,(H,39,44).
What are the key properties of N-[4-[(1,5-dimethylpyrazol-3-yl)methylamino]cyclohexyl]-5-fluoro-2-[3-[4-hydroxy-2-(morpholin-4-ylmethyl)phenyl]phenoxy]pyridine-3-carboxamide?
N-[4-[(1,5-dimethylpyrazol-3-yl)methylamino]cyclohexyl]-5-fluoro-2-[3-[4-hydroxy-2-(morpholin-4-ylmethyl)phenyl]phenoxy]pyridine-3-carboxamide has a molecular weight of 628.75 g/mol, XLogP of 5.09, 10 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1,5-dimethylpyrazol-3-yl)methylamino]cyclohexyl]-5-fluoro-2-[3-[4-hydroxy-2-(morpholin-4-ylmethyl)phenyl]phenoxy]pyridine-3-carboxamide is sourced from PubChem (CID 59190512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).