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

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

N-[4-[(1,5-dimethylpyrazole-3-carbonyl)amino]cyclohexyl]-5-fluoro-2-[3-[4-formyl-2-(morpholin-4-ylmethyl)phenyl]phenoxy]pyridine-3-carboxamide (PubChem CID 87493199) has the molecular formula C36H39FN6O5 and a molecular weight of 654.74 g/mol. Its IUPAC name is N-[4-[(1,5-dimethylpyrazole-3-carbonyl)amino]cyclohexyl]-5-fluoro-2-[3-[4-formyl-2-(morpholin-4-ylmethyl)phenyl]phenoxy]pyridine-3-carboxamide.

Molecular Properties

Compound Name	N-[4-[(1,5-dimethylpyrazole-3-carbonyl)amino]cyclohexyl]-5-fluoro-2-[3-[4-formyl-2-(morpholin-4-ylmethyl)phenyl]phenoxy]pyridine-3-carboxamide
PubChem CID	87493199
Molecular Formula	C36H39FN6O5
Molecular Weight	654.74 g/mol
Exact Mass	654.30
IUPAC Name	N-[4-[(1,5-dimethylpyrazole-3-carbonyl)amino]cyclohexyl]-5-fluoro-2-[3-[4-formyl-2-(morpholin-4-ylmethyl)phenyl]phenoxy]pyridine-3-carboxamide
SMILES	Cc1cc(C(=O)NC2CCC(NC(=O)c3cc(F)cnc3Oc3cccc(-c4ccc(C=O)cc4CN4CCOCC4)c3)CC2)nn1C
InChI	InChI=1S/C36H39FN6O5/c1-23-16-33(41-42(23)2)35(46)40-29-9-7-28(8-10-29)39-34(45)32-19-27(37)20-38-36(32)48-30-5-3-4-25(18-30)31-11-6-24(22-44)17-26(31)21-43-12-14-47-15-13-43/h3-6,11,16-20,22,28-29H,7-10,12-15,21H2,1-2H3,(H,39,45)(H,40,46)
InChIKey	FKDLKWQGBGSVSA-UHFFFAOYSA-N
XLogP	4.84
TPSA	127.68 Å²
H-Bond Donors	2
H-Bond Acceptors	9
Rotatable Bonds	10
Heavy Atoms	48
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	654.74
LogP ≤ 5	4.84
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[4-[(1,5-dimethylpyrazole-3-carbonyl)amino]cyclohexyl]-5-fluoro-2-[3-[4-formyl-2-(morpholin-4-ylmethyl)phenyl]phenoxy]pyridine-3-carboxamide?

The IUPAC name of N-[4-[(1,5-dimethylpyrazole-3-carbonyl)amino]cyclohexyl]-5-fluoro-2-[3-[4-formyl-2-(morpholin-4-ylmethyl)phenyl]phenoxy]pyridine-3-carboxamide (CID 87493199) is N-[4-[(1,5-dimethylpyrazole-3-carbonyl)amino]cyclohexyl]-5-fluoro-2-[3-[4-formyl-2-(morpholin-4-ylmethyl)phenyl]phenoxy]pyridine-3-carboxamide.

What is the SMILES notation for N-[4-[(1,5-dimethylpyrazole-3-carbonyl)amino]cyclohexyl]-5-fluoro-2-[3-[4-formyl-2-(morpholin-4-ylmethyl)phenyl]phenoxy]pyridine-3-carboxamide?

The canonical SMILES for N-[4-[(1,5-dimethylpyrazole-3-carbonyl)amino]cyclohexyl]-5-fluoro-2-[3-[4-formyl-2-(morpholin-4-ylmethyl)phenyl]phenoxy]pyridine-3-carboxamide is Cc1cc(C(=O)NC2CCC(NC(=O)c3cc(F)cnc3Oc3cccc(-c4ccc(C=O)cc4CN4CCOCC4)c3)CC2)nn1C.

What is the InChIKey of N-[4-[(1,5-dimethylpyrazole-3-carbonyl)amino]cyclohexyl]-5-fluoro-2-[3-[4-formyl-2-(morpholin-4-ylmethyl)phenyl]phenoxy]pyridine-3-carboxamide?

The InChIKey is FKDLKWQGBGSVSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H39FN6O5/c1-23-16-33(41-42(23)2)35(46)40-29-9-7-28(8-10-29)39-34(45)32-19-27(37)20-38-36(32)48-30-5-3-4-25(18-30)31-11-6-24(22-44)17-26(31)21-43-12-14-47-15-13-43/h3-6,11,16-20,22,28-29H,7-10,12-15,21H2,1-2H3,(H,39,45)(H,40,46).

What are the key properties of N-[4-[(1,5-dimethylpyrazole-3-carbonyl)amino]cyclohexyl]-5-fluoro-2-[3-[4-formyl-2-(morpholin-4-ylmethyl)phenyl]phenoxy]pyridine-3-carboxamide?

N-[4-[(1,5-dimethylpyrazole-3-carbonyl)amino]cyclohexyl]-5-fluoro-2-[3-[4-formyl-2-(morpholin-4-ylmethyl)phenyl]phenoxy]pyridine-3-carboxamide has a molecular weight of 654.74 g/mol, XLogP of 4.84, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[(1,5-dimethylpyrazole-3-carbonyl)amino]cyclohexyl]-5-fluoro-2-[3-[4-formyl-2-(morpholin-4-ylmethyl)phenyl]phenoxy]pyridine-3-carboxamide is sourced from PubChem (CID 87493199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).