[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)methanol

C25H22FN7O2 — CID 118954741

IUPAC[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)methanol
SMILESCn1ncc2c(C(O)c3ccc(F)c(-c4ncnc5cc(N6CCOCC6)ccc45)c3)ncnc21
InChIInChI=1S/C25H22FN7O2/c1-32-25-19(12-31-32)23(29-14-30-25)24(34)15-2-5-20(26)18(10-15)22-17-4-3-16(11-21(17)27-13-28-22)33-6-8-35-9-7-33/h2-5,10-14,24,34H,6-9H2,1H3
InChIKeyHPWPZDRXPQVODT-UHFFFAOYSA-N
MW471.50 g/mol
LogP3.03
Rot. Bonds4

About [4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)methanol

[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)methanol (PubChem CID 118954741) has the molecular formula C25H22FN7O2 and a molecular weight of 471.50 g/mol. Its IUPAC name is [4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)methanol.

Molecular Properties

Compound Name[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)methanol
PubChem CID118954741
Molecular FormulaC25H22FN7O2
Molecular Weight471.50 g/mol
Exact Mass471.18
IUPAC Name[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)methanol
SMILESCn1ncc2c(C(O)c3ccc(F)c(-c4ncnc5cc(N6CCOCC6)ccc45)c3)ncnc21
InChIInChI=1S/C25H22FN7O2/c1-32-25-19(12-31-32)23(29-14-30-25)24(34)15-2-5-20(26)18(10-15)22-17-4-3-16(11-21(17)27-13-28-22)33-6-8-35-9-7-33/h2-5,10-14,24,34H,6-9H2,1H3
InChIKeyHPWPZDRXPQVODT-UHFFFAOYSA-N
XLogP3.03
TPSA102.08 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.50
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

4-[4-(3-Quinolin-4-ylpyrazolo[1,5-a]pyrimidin-6-yl)phenyl]morpholine
CID 60182389
Pyrazolo pyrimidine, 5l
CID 44520816
2,6-difluoro-4-[8-morpholin-4-yl-2-[(E)-2-quinolin-2-ylethenyl]imidazo[1,2-b]pyridazin-3-yl]phenol
CID 137159567
2,6-Difluoro-4-[8-morpholin-4-yl-2-(2-quinolin-2-ylethyl)imidazo[1,2-b]pyridazin-3-yl]phenol
CID 137159568
(3-(1-(1-benzylpiperidin-4-yl)-4-morpholino-1H-pyrazolo[3,4-d]pyrimidin-6-yl)phenyl)methanol
CID 46227820
5-[4-[(3S)-3-(4-fluorophenyl)morpholin-4-yl]-2-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]quinazolin-6-yl]-1-methylpyridin-2-one
CID 162672143
(5,7-difluoroquinolin-6-yl)-[6-[(E)-N-methoxy-C-methylcarbonimidoyl]imidazo[1,2-b]pyridazin-3-yl]methanol
CID 50991633
(S)-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-quinolin-6-ylmethanol
CID 57690982
1-(6-Phenylimidazo[1,2-b]pyridazin-3-yl)-1-(quinolin-6-yl)ethanol
CID 57691055
3-[4-Amino-1-[[2-[4-(2-hydroxyethyl)piperazin-1-yl]quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol
CID 58515055
3-[4-Amino-1-[(8-methyl-2-morpholin-4-ylquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol
CID 58515084
3-[4-Amino-1-[(2-morpholin-4-ylquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol
CID 58515093

Frequently Asked Questions

What is the IUPAC name of [4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)methanol?
The IUPAC name of [4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)methanol (CID 118954741) is [4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)methanol.
What is the SMILES notation for [4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)methanol?
The canonical SMILES for [4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)methanol is Cn1ncc2c(C(O)c3ccc(F)c(-c4ncnc5cc(N6CCOCC6)ccc45)c3)ncnc21.
What is the InChIKey of [4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)methanol?
The InChIKey is HPWPZDRXPQVODT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FN7O2/c1-32-25-19(12-31-32)23(29-14-30-25)24(34)15-2-5-20(26)18(10-15)22-17-4-3-16(11-21(17)27-13-28-22)33-6-8-35-9-7-33/h2-5,10-14,24,34H,6-9H2,1H3.
What are the key properties of [4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)methanol?
[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)methanol has a molecular weight of 471.50 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)methanol is sourced from PubChem (CID 118954741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).