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LYHNSWOZRDSWLX-UHFFFAOYSA-N

C24H22FN5O2 — CID 135975112

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC6-[2-(4-fluorophenyl)-6-(hydroxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]-2-(2-methylphenyl)pyridazin-3-one
SMILESCc1ccccc1-n1nc(-c2c(-c3ccc(F)cc3)nn3c2NCC(CO)C3)ccc1=O
InChIInChI=1S/C24H22FN5O2/c1-15-4-2-3-5-20(15)30-21(32)11-10-19(27-30)22-23(17-6-8-18(25)9-7-17)28-29-13-16(14-31)12-26-24(22)29/h2-11,16,26,31H,12-14H2,1H3
InChIKeyLYHNSWOZRDSWLX-UHFFFAOYSA-N
MW431.47 g/mol
LogP3.24
Rot. Bonds4

About LYHNSWOZRDSWLX-UHFFFAOYSA-N

LYHNSWOZRDSWLX-UHFFFAOYSA-N (PubChem CID 135975112) has the molecular formula C24H22FN5O2 and a molecular weight of 431.47 g/mol. Its IUPAC name is 6-[2-(4-fluorophenyl)-6-(hydroxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]-2-(2-methylphenyl)pyridazin-3-one.

Molecular Properties

Compound NameLYHNSWOZRDSWLX-UHFFFAOYSA-N
PubChem CID135975112
Molecular FormulaC24H22FN5O2
Molecular Weight431.47 g/mol
Exact Mass431.18
IUPAC Name6-[2-(4-fluorophenyl)-6-(hydroxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]-2-(2-methylphenyl)pyridazin-3-one
SMILESCc1ccccc1-n1nc(-c2c(-c3ccc(F)cc3)nn3c2NCC(CO)C3)ccc1=O
InChIInChI=1S/C24H22FN5O2/c1-15-4-2-3-5-20(15)30-21(32)11-10-19(27-30)22-23(17-6-8-18(25)9-7-17)28-29-13-16(14-31)12-26-24(22)29/h2-11,16,26,31H,12-14H2,1H3
InChIKeyLYHNSWOZRDSWLX-UHFFFAOYSA-N
XLogP3.24
TPSA84.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.47
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of LYHNSWOZRDSWLX-UHFFFAOYSA-N?
The IUPAC name of LYHNSWOZRDSWLX-UHFFFAOYSA-N (CID 135975112) is 6-[2-(4-fluorophenyl)-6-(hydroxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]-2-(2-methylphenyl)pyridazin-3-one.
What is the SMILES notation for LYHNSWOZRDSWLX-UHFFFAOYSA-N?
The canonical SMILES for LYHNSWOZRDSWLX-UHFFFAOYSA-N is Cc1ccccc1-n1nc(-c2c(-c3ccc(F)cc3)nn3c2NCC(CO)C3)ccc1=O.
What is the InChIKey of LYHNSWOZRDSWLX-UHFFFAOYSA-N?
The InChIKey is LYHNSWOZRDSWLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN5O2/c1-15-4-2-3-5-20(15)30-21(32)11-10-19(27-30)22-23(17-6-8-18(25)9-7-17)28-29-13-16(14-31)12-26-24(22)29/h2-11,16,26,31H,12-14H2,1H3.
What are the key properties of LYHNSWOZRDSWLX-UHFFFAOYSA-N?
LYHNSWOZRDSWLX-UHFFFAOYSA-N has a molecular weight of 431.47 g/mol, XLogP of 3.24, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for LYHNSWOZRDSWLX-UHFFFAOYSA-N is sourced from PubChem (CID 135975112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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