(3R)-1-[4-(4-quinolin-2-ylpyrazol-1-yl)phthalazin-1-yl]pyrrolidin-3-ol

C24H20N6O — CID 110173055

IUPAC(3R)-1-[4-(4-quinolin-2-ylpyrazol-1-yl)phthalazin-1-yl]pyrrolidin-3-ol
SMILESO[C@@H]1CCN(c2nnc(-n3cc(-c4ccc5ccccc5n4)cn3)c3ccccc23)C1
InChIInChI=1S/C24H20N6O/c31-18-11-12-29(15-18)23-19-6-2-3-7-20(19)24(28-27-23)30-14-17(13-25-30)22-10-9-16-5-1-4-8-21(16)26-22/h1-10,13-14,18,31H,11-12,15H2/t18-/m1/s1
InChIKeyPGQOSIGLRNRQSA-GOSISDBHSA-N
MW408.47 g/mol
LogP3.60
Rot. Bonds3

About (3R)-1-[4-(4-quinolin-2-ylpyrazol-1-yl)phthalazin-1-yl]pyrrolidin-3-ol

(3R)-1-[4-(4-quinolin-2-ylpyrazol-1-yl)phthalazin-1-yl]pyrrolidin-3-ol (PubChem CID 110173055) has the molecular formula C24H20N6O and a molecular weight of 408.47 g/mol. Its IUPAC name is (3R)-1-[4-(4-quinolin-2-ylpyrazol-1-yl)phthalazin-1-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R)-1-[4-(4-quinolin-2-ylpyrazol-1-yl)phthalazin-1-yl]pyrrolidin-3-ol
PubChem CID110173055
Molecular FormulaC24H20N6O
Molecular Weight408.47 g/mol
Exact Mass408.17
IUPAC Name(3R)-1-[4-(4-quinolin-2-ylpyrazol-1-yl)phthalazin-1-yl]pyrrolidin-3-ol
SMILESO[C@@H]1CCN(c2nnc(-n3cc(-c4ccc5ccccc5n4)cn3)c3ccccc23)C1
InChIInChI=1S/C24H20N6O/c31-18-11-12-29(15-18)23-19-6-2-3-7-20(19)24(28-27-23)30-14-17(13-25-30)22-10-9-16-5-1-4-8-21(16)26-22/h1-10,13-14,18,31H,11-12,15H2/t18-/m1/s1
InChIKeyPGQOSIGLRNRQSA-GOSISDBHSA-N
XLogP3.60
TPSA79.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.47
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(4-methylpiperazin-1-yl)-4-(4-quinolin-2-ylpyrazol-1-yl)phthalazine
CID 110173056
(3R)-1-(2-phenylquinolin-4-yl)pyrrolidin-3-ol
CID 22965973
(3R)-1-(3-chloroquinoxalin-2-yl)pyrrolidin-3-ol
CID 71649300
1-[3-[(propan-2-ylamino)methyl]quinolin-2-yl]pyrrolidin-3-ol
CID 62941726
1-[2-[(3S)-3-hydroxypyrrolidin-1-yl]quinolin-3-yl]ethanone
CID 154608742
(3S)-1-(3-methylquinolin-2-yl)piperidin-3-ol
CID 95034913
1-[7-[4-(dimethylamino)phenyl]-1,6-naphthyridin-5-yl]pyrrolidin-3-ol
CID 10149903
2-[(3S)-3-hydroxypyrrolidin-1-yl]pyridin-3-ol
CID 71649435
1-(2-pyridin-4-ylquinazolin-4-yl)piperidin-3-ol
CID 11415528
1-(1-phthalazin-1-ylpyrrolidin-3-yl)ethanol
CID 112627869
1-(4-hydroxypiperidin-1-yl)isoquinoline-3-carboxylic acid
CID 43343423
1-(2-quinolin-3-ylpyrimidin-4-yl)pyrrolidin-3-ol
CID 74243840

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[4-(4-quinolin-2-ylpyrazol-1-yl)phthalazin-1-yl]pyrrolidin-3-ol?
The IUPAC name of (3R)-1-[4-(4-quinolin-2-ylpyrazol-1-yl)phthalazin-1-yl]pyrrolidin-3-ol (CID 110173055) is (3R)-1-[4-(4-quinolin-2-ylpyrazol-1-yl)phthalazin-1-yl]pyrrolidin-3-ol.
What is the SMILES notation for (3R)-1-[4-(4-quinolin-2-ylpyrazol-1-yl)phthalazin-1-yl]pyrrolidin-3-ol?
The canonical SMILES for (3R)-1-[4-(4-quinolin-2-ylpyrazol-1-yl)phthalazin-1-yl]pyrrolidin-3-ol is O[C@@H]1CCN(c2nnc(-n3cc(-c4ccc5ccccc5n4)cn3)c3ccccc23)C1.
What is the InChIKey of (3R)-1-[4-(4-quinolin-2-ylpyrazol-1-yl)phthalazin-1-yl]pyrrolidin-3-ol?
The InChIKey is PGQOSIGLRNRQSA-GOSISDBHSA-N. The full InChI is InChI=1S/C24H20N6O/c31-18-11-12-29(15-18)23-19-6-2-3-7-20(19)24(28-27-23)30-14-17(13-25-30)22-10-9-16-5-1-4-8-21(16)26-22/h1-10,13-14,18,31H,11-12,15H2/t18-/m1/s1.
What are the key properties of (3R)-1-[4-(4-quinolin-2-ylpyrazol-1-yl)phthalazin-1-yl]pyrrolidin-3-ol?
(3R)-1-[4-(4-quinolin-2-ylpyrazol-1-yl)phthalazin-1-yl]pyrrolidin-3-ol has a molecular weight of 408.47 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[4-(4-quinolin-2-ylpyrazol-1-yl)phthalazin-1-yl]pyrrolidin-3-ol is sourced from PubChem (CID 110173055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).