3-[4-[[6-[(E)-[[5-fluoro-4-(3-propan-2-ylmorpholin-4-yl)pyrimidin-2-yl]hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol

C29H30FN7O2 — CID 58876788

IUPAC3-[4-[[6-[(E)-[[5-fluoro-4-(3-propan-2-ylmorpholin-4-yl)pyrimidin-2-yl]hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol
SMILESCC(C)C1COCCN1c1nc(N/N=C/c2ccc(Nc3ccc(-c4cccc(O)c4)cc3)cn2)ncc1F
InChIInChI=1S/C29H30FN7O2/c1-19(2)27-18-39-13-12-37(27)28-26(30)17-32-29(35-28)36-33-16-23-10-11-24(15-31-23)34-22-8-6-20(7-9-22)21-4-3-5-25(38)14-21/h3-11,14-17,19,27,34,38H,12-13,18H2,1-2H3,(H,32,35,36)/b33-16+
InChIKeyIOPVJQKZFXDAFM-MHDJOFBISA-N
MW527.60 g/mol
LogP5.43
Rot. Bonds8

About 3-[4-[[6-[(E)-[[5-fluoro-4-(3-propan-2-ylmorpholin-4-yl)pyrimidin-2-yl]hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol

3-[4-[[6-[(E)-[[5-fluoro-4-(3-propan-2-ylmorpholin-4-yl)pyrimidin-2-yl]hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol (PubChem CID 58876788) has the molecular formula C29H30FN7O2 and a molecular weight of 527.60 g/mol. Its IUPAC name is 3-[4-[[6-[(E)-[[5-fluoro-4-(3-propan-2-ylmorpholin-4-yl)pyrimidin-2-yl]hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol.

Molecular Properties

Compound Name3-[4-[[6-[(E)-[[5-fluoro-4-(3-propan-2-ylmorpholin-4-yl)pyrimidin-2-yl]hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol
PubChem CID58876788
Molecular FormulaC29H30FN7O2
Molecular Weight527.60 g/mol
Exact Mass527.24
IUPAC Name3-[4-[[6-[(E)-[[5-fluoro-4-(3-propan-2-ylmorpholin-4-yl)pyrimidin-2-yl]hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol
SMILESCC(C)C1COCCN1c1nc(N/N=C/c2ccc(Nc3ccc(-c4cccc(O)c4)cc3)cn2)ncc1F
InChIInChI=1S/C29H30FN7O2/c1-19(2)27-18-39-13-12-37(27)28-26(30)17-32-29(35-28)36-33-16-23-10-11-24(15-31-23)34-22-8-6-20(7-9-22)21-4-3-5-25(38)14-21/h3-11,14-17,19,27,34,38H,12-13,18H2,1-2H3,(H,32,35,36)/b33-16+
InChIKeyIOPVJQKZFXDAFM-MHDJOFBISA-N
XLogP5.43
TPSA107.79 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.60
LogP ≤ 55.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-[4-[[6-[(E)-[[5-fluoro-4-(3-propan-2-ylmorpholin-4-yl)pyrimidin-2-yl]hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol with MolForge

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Related Compounds

3-[2-Morpholin-4-yl-6-(pyridin-3-ylamino)pyrimidin-4-yl]phenol
CID 10405525
3-(4-Morpholinopyrido[3,2-d]pyrimidin-2-yl)phenol
CID 9879653
3-(2-morpholino-7-(pyridin-3-yl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)phenol
CID 24888918
3-[7-(2-Methyl-pyridin-4-yl)-2-morpholin-4-yl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]-phenol
CID 24889090
3-{7-[1-(4-fluorobenzyl)piperidin-4-yl]-4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl}phenol
CID 42632992
3-(6-(6-Methoxypyridin-3-ylamino)-2-morpholinopyrimidin-4-yl)phenol
CID 50908894
3-(2-Morpholino-6-(2-(pyridin-4-yl)ethylamino)pyrimidin-4-yl)phenol
CID 51346892
3-(4-Morpholino-6-(pyridin-2-yl)pyrimidin-2-yl)phenol
CID 51346893
3-(2-Morpholino-6-(pyridin-3-ylmethylamino)pyrimidin-4-yl)phenol
CID 52946248
3-(2-Morpholino-6-(quinolin-3-ylamino)pyrimidin-4-yl)phenol
CID 53320102
3-(2-Morpholino-6-(pyridin-4-ylmethylamino)pyrimidin-4-yl)phenol
CID 53320906
3-(2-Morpholino-6-(2-(pyridin-2-yl)ethylamino)pyrimidin-4-yl)phenol
CID 53325374

Frequently Asked Questions

What is the IUPAC name of 3-[4-[[6-[(E)-[[5-fluoro-4-(3-propan-2-ylmorpholin-4-yl)pyrimidin-2-yl]hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol?
The IUPAC name of 3-[4-[[6-[(E)-[[5-fluoro-4-(3-propan-2-ylmorpholin-4-yl)pyrimidin-2-yl]hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol (CID 58876788) is 3-[4-[[6-[(E)-[[5-fluoro-4-(3-propan-2-ylmorpholin-4-yl)pyrimidin-2-yl]hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol.
What is the SMILES notation for 3-[4-[[6-[(E)-[[5-fluoro-4-(3-propan-2-ylmorpholin-4-yl)pyrimidin-2-yl]hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol?
The canonical SMILES for 3-[4-[[6-[(E)-[[5-fluoro-4-(3-propan-2-ylmorpholin-4-yl)pyrimidin-2-yl]hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol is CC(C)C1COCCN1c1nc(N/N=C/c2ccc(Nc3ccc(-c4cccc(O)c4)cc3)cn2)ncc1F.
What is the InChIKey of 3-[4-[[6-[(E)-[[5-fluoro-4-(3-propan-2-ylmorpholin-4-yl)pyrimidin-2-yl]hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol?
The InChIKey is IOPVJQKZFXDAFM-MHDJOFBISA-N. The full InChI is InChI=1S/C29H30FN7O2/c1-19(2)27-18-39-13-12-37(27)28-26(30)17-32-29(35-28)36-33-16-23-10-11-24(15-31-23)34-22-8-6-20(7-9-22)21-4-3-5-25(38)14-21/h3-11,14-17,19,27,34,38H,12-13,18H2,1-2H3,(H,32,35,36)/b33-16+.
What are the key properties of 3-[4-[[6-[(E)-[[5-fluoro-4-(3-propan-2-ylmorpholin-4-yl)pyrimidin-2-yl]hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol?
3-[4-[[6-[(E)-[[5-fluoro-4-(3-propan-2-ylmorpholin-4-yl)pyrimidin-2-yl]hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol has a molecular weight of 527.60 g/mol, XLogP of 5.43, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[6-[(E)-[[5-fluoro-4-(3-propan-2-ylmorpholin-4-yl)pyrimidin-2-yl]hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol is sourced from PubChem (CID 58876788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).