[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(1-propan-2-ylpyrazol-4-yl)methanol

C25H26FN5O2 — CID 118954976

IUPAC[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(1-propan-2-ylpyrazol-4-yl)methanol
SMILESCC(C)n1cc(C(O)c2ccc(F)c(-c3ncnc4cc(N5CCOCC5)ccc34)c2)cn1
InChIInChI=1S/C25H26FN5O2/c1-16(2)31-14-18(13-29-31)25(32)17-3-6-22(26)21(11-17)24-20-5-4-19(12-23(20)27-15-28-24)30-7-9-33-10-8-30/h3-6,11-16,25,32H,7-10H2,1-2H3
InChIKeyRWAYQUVHYMUCJE-UHFFFAOYSA-N
MW447.51 g/mol
LogP4.13
Rot. Bonds5

About [4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(1-propan-2-ylpyrazol-4-yl)methanol

[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(1-propan-2-ylpyrazol-4-yl)methanol (PubChem CID 118954976) has the molecular formula C25H26FN5O2 and a molecular weight of 447.51 g/mol. Its IUPAC name is [4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(1-propan-2-ylpyrazol-4-yl)methanol.

Molecular Properties

Compound Name[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(1-propan-2-ylpyrazol-4-yl)methanol
PubChem CID118954976
Molecular FormulaC25H26FN5O2
Molecular Weight447.51 g/mol
Exact Mass447.21
IUPAC Name[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(1-propan-2-ylpyrazol-4-yl)methanol
SMILESCC(C)n1cc(C(O)c2ccc(F)c(-c3ncnc4cc(N5CCOCC5)ccc34)c2)cn1
InChIInChI=1S/C25H26FN5O2/c1-16(2)31-14-18(13-29-31)25(32)17-3-6-22(26)21(11-17)24-20-5-4-19(12-23(20)27-15-28-24)30-7-9-33-10-8-30/h3-6,11-16,25,32H,7-10H2,1-2H3
InChIKeyRWAYQUVHYMUCJE-UHFFFAOYSA-N
XLogP4.13
TPSA76.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.51
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(1-propan-2-ylpyrazol-4-yl)methanol?
The IUPAC name of [4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(1-propan-2-ylpyrazol-4-yl)methanol (CID 118954976) is [4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(1-propan-2-ylpyrazol-4-yl)methanol.
What is the SMILES notation for [4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(1-propan-2-ylpyrazol-4-yl)methanol?
The canonical SMILES for [4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(1-propan-2-ylpyrazol-4-yl)methanol is CC(C)n1cc(C(O)c2ccc(F)c(-c3ncnc4cc(N5CCOCC5)ccc34)c2)cn1.
What is the InChIKey of [4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(1-propan-2-ylpyrazol-4-yl)methanol?
The InChIKey is RWAYQUVHYMUCJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN5O2/c1-16(2)31-14-18(13-29-31)25(32)17-3-6-22(26)21(11-17)24-20-5-4-19(12-23(20)27-15-28-24)30-7-9-33-10-8-30/h3-6,11-16,25,32H,7-10H2,1-2H3.
What are the key properties of [4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(1-propan-2-ylpyrazol-4-yl)methanol?
[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(1-propan-2-ylpyrazol-4-yl)methanol has a molecular weight of 447.51 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(1-propan-2-ylpyrazol-4-yl)methanol is sourced from PubChem (CID 118954976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).