[6-(1-amino-2-methylpropan-2-yl)oxypyridazin-3-yl]-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol

C27H29FN6O3 — CID 118954923

IUPAC[6-(1-amino-2-methylpropan-2-yl)oxypyridazin-3-yl]-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol
SMILESCC(C)(CN)Oc1ccc(C(O)c2ccc(F)c(-c3ncnc4cc(N5CCOCC5)ccc34)c2)nn1
InChIInChI=1S/C27H29FN6O3/c1-27(2,15-29)37-24-8-7-22(32-33-24)26(35)17-3-6-21(28)20(13-17)25-19-5-4-18(14-23(19)30-16-31-25)34-9-11-36-12-10-34/h3-8,13-14,16,26,35H,9-12,15,29H2,1-2H3
InChIKeyBMGHHOZCZCVNOZ-UHFFFAOYSA-N
MW504.57 g/mol
LogP3.26
Rot. Bonds7

About [6-(1-amino-2-methylpropan-2-yl)oxypyridazin-3-yl]-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol

[6-(1-amino-2-methylpropan-2-yl)oxypyridazin-3-yl]-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol (PubChem CID 118954923) has the molecular formula C27H29FN6O3 and a molecular weight of 504.57 g/mol. Its IUPAC name is [6-(1-amino-2-methylpropan-2-yl)oxypyridazin-3-yl]-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol.

Molecular Properties

Compound Name[6-(1-amino-2-methylpropan-2-yl)oxypyridazin-3-yl]-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol
PubChem CID118954923
Molecular FormulaC27H29FN6O3
Molecular Weight504.57 g/mol
Exact Mass504.23
IUPAC Name[6-(1-amino-2-methylpropan-2-yl)oxypyridazin-3-yl]-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol
SMILESCC(C)(CN)Oc1ccc(C(O)c2ccc(F)c(-c3ncnc4cc(N5CCOCC5)ccc34)c2)nn1
InChIInChI=1S/C27H29FN6O3/c1-27(2,15-29)37-24-8-7-22(32-33-24)26(35)17-3-6-21(28)20(13-17)25-19-5-4-18(14-23(19)30-16-31-25)34-9-11-36-12-10-34/h3-8,13-14,16,26,35H,9-12,15,29H2,1-2H3
InChIKeyBMGHHOZCZCVNOZ-UHFFFAOYSA-N
XLogP3.26
TPSA119.51 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.57
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Launch Full Analysis

Related Compounds

ethane;4-[4-[2-fluoro-5-[1-(6-methoxypyridazin-3-yl)ethyl]phenyl]quinazolin-7-yl]morpholine
CID 144744804
(5,6-dimethylpyrazin-2-yl)-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol
CID 118954958
[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(4-methoxypyridazin-3-yl)methanol
CID 118954974
[4-fluoro-2-methyl-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-[6-(oxetan-3-yloxy)pyridazin-3-yl]methanol
CID 144744962
methyl 2-[6-[[2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-hydroxymethyl]pyridazin-3-yl]oxyacetate
CID 118954756
[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methanol
CID 118955010
ethane;[4-fluoro-2-methyl-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-[6-(oxetan-3-yloxy)pyridazin-3-yl]methanol
CID 144744961
(4-chloro-5-fluoro-3-pyridinyl)-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol
CID 86294562
[3-(difluoromethoxy)-2-pyridinyl]-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol
CID 86292452
ethane;[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(3-methylpyridazin-4-yl)methanamine
CID 144744998
4-[4-[2-fluoro-5-[methoxy-(3-methylpyrazin-2-yl)methyl]phenyl]quinazolin-7-yl]morpholine
CID 118954815
[4-fluoro-2-methyl-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(6-methoxy-4-methylpyridazin-3-yl)methanol
CID 144744982

Frequently Asked Questions

What is the IUPAC name of [6-(1-amino-2-methylpropan-2-yl)oxypyridazin-3-yl]-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol?
The IUPAC name of [6-(1-amino-2-methylpropan-2-yl)oxypyridazin-3-yl]-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol (CID 118954923) is [6-(1-amino-2-methylpropan-2-yl)oxypyridazin-3-yl]-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol.
What is the SMILES notation for [6-(1-amino-2-methylpropan-2-yl)oxypyridazin-3-yl]-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol?
The canonical SMILES for [6-(1-amino-2-methylpropan-2-yl)oxypyridazin-3-yl]-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol is CC(C)(CN)Oc1ccc(C(O)c2ccc(F)c(-c3ncnc4cc(N5CCOCC5)ccc34)c2)nn1.
What is the InChIKey of [6-(1-amino-2-methylpropan-2-yl)oxypyridazin-3-yl]-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol?
The InChIKey is BMGHHOZCZCVNOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29FN6O3/c1-27(2,15-29)37-24-8-7-22(32-33-24)26(35)17-3-6-21(28)20(13-17)25-19-5-4-18(14-23(19)30-16-31-25)34-9-11-36-12-10-34/h3-8,13-14,16,26,35H,9-12,15,29H2,1-2H3.
What are the key properties of [6-(1-amino-2-methylpropan-2-yl)oxypyridazin-3-yl]-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol?
[6-(1-amino-2-methylpropan-2-yl)oxypyridazin-3-yl]-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol has a molecular weight of 504.57 g/mol, XLogP of 3.26, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(1-amino-2-methylpropan-2-yl)oxypyridazin-3-yl]-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol is sourced from PubChem (CID 118954923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).