(4R)-1-(6-chloropyridazin-3-yl)-4-[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

C25H21ClFN5O3 — CID 135930842

About (4R)-1-(6-chloropyridazin-3-yl)-4-[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

(4R)-1-(6-chloropyridazin-3-yl)-4-[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 135930842) has the molecular formula C25H21ClFN5O3 and a molecular weight of 493.93 g/mol. Its IUPAC name is (4R)-1-(6-chloropyridazin-3-yl)-4-[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

• Compound Name: (4R)-1-(6-chloropyridazin-3-yl)-4-[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
• PubChem CID: 135930842
• Molecular Formula: C25H21ClFN5O3
• Molecular Weight: 493.93 g/mol
• Exact Mass: 493.13
• IUPAC Name: (4R)-1-(6-chloropyridazin-3-yl)-4-[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
• SMILES: COc1cccc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2ccc(Cl)nn2)c1OCc1ccccc1F
• InChI: InChI=1S/C25H21ClFN5O3/c1-14-23-17(12-22(33)28-25(23)32(31-14)21-11-10-20(26)29-30-21)16-7-5-9-19(34-2)24(16)35-13-15-6-3-4-8-18(15)27/h3-11,17H,12-13H2,1-2H3,(H,28,33)/t17-/m0/s1
• InChIKey: IBRVJOWTEMFPDR-KRWDZBQOSA-N
• XLogP: 4.82
• TPSA: 91.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	493.93
LogP ≤ 5	4.82
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (4R)-1-(6-chloropyridazin-3-yl)-4-[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?

The IUPAC name of (4R)-1-(6-chloropyridazin-3-yl)-4-[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (CID 135930842) is (4R)-1-(6-chloropyridazin-3-yl)-4-[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.

What is the SMILES notation for (4R)-1-(6-chloropyridazin-3-yl)-4-[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?

The canonical SMILES for (4R)-1-(6-chloropyridazin-3-yl)-4-[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is COc1cccc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2ccc(Cl)nn2)c1OCc1ccccc1F.

What is the InChIKey of (4R)-1-(6-chloropyridazin-3-yl)-4-[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?

The InChIKey is IBRVJOWTEMFPDR-KRWDZBQOSA-N. The full InChI is InChI=1S/C25H21ClFN5O3/c1-14-23-17(12-22(33)28-25(23)32(31-14)21-11-10-20(26)29-30-21)16-7-5-9-19(34-2)24(16)35-13-15-6-3-4-8-18(15)27/h3-11,17H,12-13H2,1-2H3,(H,28,33)/t17-/m0/s1.

What are the key properties of (4R)-1-(6-chloropyridazin-3-yl)-4-[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?

(4R)-1-(6-chloropyridazin-3-yl)-4-[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 493.93 g/mol, XLogP of 4.82, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-1-(6-chloropyridazin-3-yl)-4-[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 135930842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).