[2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-pyrazolo[1,5-a]pyrimidin-5-ylmethanol

C25H20ClFN6O2 — CID 86292072

IUPAC[2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-pyrazolo[1,5-a]pyrimidin-5-ylmethanol
SMILESOC(c1ccn2nccc2n1)c1cc(-c2ncnc3cc(N4CCOCC4)ccc23)c(F)cc1Cl
InChIInChI=1S/C25H20ClFN6O2/c26-19-13-20(27)18(12-17(19)25(34)21-4-6-33-23(31-21)3-5-30-33)24-16-2-1-15(11-22(16)28-14-29-24)32-7-9-35-10-8-32/h1-6,11-14,25,34H,7-10H2
InChIKeyDRBCELNQNRVAMX-UHFFFAOYSA-N
MW490.93 g/mol
LogP4.05
Rot. Bonds4

About [2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-pyrazolo[1,5-a]pyrimidin-5-ylmethanol

[2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-pyrazolo[1,5-a]pyrimidin-5-ylmethanol (PubChem CID 86292072) has the molecular formula C25H20ClFN6O2 and a molecular weight of 490.93 g/mol. Its IUPAC name is [2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-pyrazolo[1,5-a]pyrimidin-5-ylmethanol.

Molecular Properties

Compound Name[2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-pyrazolo[1,5-a]pyrimidin-5-ylmethanol
PubChem CID86292072
Molecular FormulaC25H20ClFN6O2
Molecular Weight490.93 g/mol
Exact Mass490.13
IUPAC Name[2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-pyrazolo[1,5-a]pyrimidin-5-ylmethanol
SMILESOC(c1ccn2nccc2n1)c1cc(-c2ncnc3cc(N4CCOCC4)ccc23)c(F)cc1Cl
InChIInChI=1S/C25H20ClFN6O2/c26-19-13-20(27)18(12-17(19)25(34)21-4-6-33-23(31-21)3-5-30-33)24-16-2-1-15(11-22(16)28-14-29-24)32-7-9-35-10-8-32/h1-6,11-14,25,34H,7-10H2
InChIKeyDRBCELNQNRVAMX-UHFFFAOYSA-N
XLogP4.05
TPSA88.67 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.93
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-pyrazolo[1,5-a]pyrimidin-5-ylmethanol?
The IUPAC name of [2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-pyrazolo[1,5-a]pyrimidin-5-ylmethanol (CID 86292072) is [2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-pyrazolo[1,5-a]pyrimidin-5-ylmethanol.
What is the SMILES notation for [2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-pyrazolo[1,5-a]pyrimidin-5-ylmethanol?
The canonical SMILES for [2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-pyrazolo[1,5-a]pyrimidin-5-ylmethanol is OC(c1ccn2nccc2n1)c1cc(-c2ncnc3cc(N4CCOCC4)ccc23)c(F)cc1Cl.
What is the InChIKey of [2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-pyrazolo[1,5-a]pyrimidin-5-ylmethanol?
The InChIKey is DRBCELNQNRVAMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClFN6O2/c26-19-13-20(27)18(12-17(19)25(34)21-4-6-33-23(31-21)3-5-30-33)24-16-2-1-15(11-22(16)28-14-29-24)32-7-9-35-10-8-32/h1-6,11-14,25,34H,7-10H2.
What are the key properties of [2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-pyrazolo[1,5-a]pyrimidin-5-ylmethanol?
[2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-pyrazolo[1,5-a]pyrimidin-5-ylmethanol has a molecular weight of 490.93 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-pyrazolo[1,5-a]pyrimidin-5-ylmethanol is sourced from PubChem (CID 86292072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).