6-[1-(4-fluorophenyl)-2-methoxyethyl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrazolo[4,5-g]quinazolin-7-one

C24H22FN5O2 — CID 137090774

IUPAC6-[1-(4-fluorophenyl)-2-methoxyethyl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrazolo[4,5-g]quinazolin-7-one
SMILESCOCC(c1ccc(F)cc1)N1Cc2cc3c(-c4ccnc(C)c4)n[nH]c3cc2NC1=O
InChIInChI=1S/C24H22FN5O2/c1-14-9-16(7-8-26-14)23-19-10-17-12-30(24(31)27-20(17)11-21(19)28-29-23)22(13-32-2)15-3-5-18(25)6-4-15/h3-11,22H,12-13H2,1-2H3,(H,27,31)(H,28,29)
InChIKeyAQWARMMGBQYMTQ-UHFFFAOYSA-N
MW431.47 g/mol
LogP4.81
Rot. Bonds5

About 6-[1-(4-fluorophenyl)-2-methoxyethyl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrazolo[4,5-g]quinazolin-7-one

6-[1-(4-fluorophenyl)-2-methoxyethyl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrazolo[4,5-g]quinazolin-7-one (PubChem CID 137090774) has the molecular formula C24H22FN5O2 and a molecular weight of 431.47 g/mol. Its IUPAC name is 6-[1-(4-fluorophenyl)-2-methoxyethyl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrazolo[4,5-g]quinazolin-7-one.

Molecular Properties

Compound Name6-[1-(4-fluorophenyl)-2-methoxyethyl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrazolo[4,5-g]quinazolin-7-one
PubChem CID137090774
Molecular FormulaC24H22FN5O2
Molecular Weight431.47 g/mol
Exact Mass431.18
IUPAC Name6-[1-(4-fluorophenyl)-2-methoxyethyl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrazolo[4,5-g]quinazolin-7-one
SMILESCOCC(c1ccc(F)cc1)N1Cc2cc3c(-c4ccnc(C)c4)n[nH]c3cc2NC1=O
InChIInChI=1S/C24H22FN5O2/c1-14-9-16(7-8-26-14)23-19-10-17-12-30(24(31)27-20(17)11-21(19)28-29-23)22(13-32-2)15-3-5-18(25)6-4-15/h3-11,22H,12-13H2,1-2H3,(H,27,31)(H,28,29)
InChIKeyAQWARMMGBQYMTQ-UHFFFAOYSA-N
XLogP4.81
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.47
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[1-(4-fluorophenyl)-2-methoxyethyl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrazolo[4,5-g]quinazolin-7-one?
The IUPAC name of 6-[1-(4-fluorophenyl)-2-methoxyethyl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrazolo[4,5-g]quinazolin-7-one (CID 137090774) is 6-[1-(4-fluorophenyl)-2-methoxyethyl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrazolo[4,5-g]quinazolin-7-one.
What is the SMILES notation for 6-[1-(4-fluorophenyl)-2-methoxyethyl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrazolo[4,5-g]quinazolin-7-one?
The canonical SMILES for 6-[1-(4-fluorophenyl)-2-methoxyethyl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrazolo[4,5-g]quinazolin-7-one is COCC(c1ccc(F)cc1)N1Cc2cc3c(-c4ccnc(C)c4)n[nH]c3cc2NC1=O.
What is the InChIKey of 6-[1-(4-fluorophenyl)-2-methoxyethyl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrazolo[4,5-g]quinazolin-7-one?
The InChIKey is AQWARMMGBQYMTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN5O2/c1-14-9-16(7-8-26-14)23-19-10-17-12-30(24(31)27-20(17)11-21(19)28-29-23)22(13-32-2)15-3-5-18(25)6-4-15/h3-11,22H,12-13H2,1-2H3,(H,27,31)(H,28,29).
What are the key properties of 6-[1-(4-fluorophenyl)-2-methoxyethyl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrazolo[4,5-g]quinazolin-7-one?
6-[1-(4-fluorophenyl)-2-methoxyethyl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrazolo[4,5-g]quinazolin-7-one has a molecular weight of 431.47 g/mol, XLogP of 4.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(4-fluorophenyl)-2-methoxyethyl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrazolo[4,5-g]quinazolin-7-one is sourced from PubChem (CID 137090774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).