2-(2-chlorophenyl)-4-[(4-fluorophenoxy)methyl]-5-(2-methoxyethyl)-1,6-dihydropyrazolo[4,3-c]pyridin-3-one

C22H21ClFN3O3 — CID 91159250

IUPAC2-(2-chlorophenyl)-4-[(4-fluorophenoxy)methyl]-5-(2-methoxyethyl)-1,6-dihydropyrazolo[4,3-c]pyridin-3-one
SMILESCOCCN1CC=c2[nH]n(-c3ccccc3Cl)c(=O)c2=C1COc1ccc(F)cc1
InChIInChI=1S/C22H21ClFN3O3/c1-29-13-12-26-11-10-18-21(20(26)14-30-16-8-6-15(24)7-9-16)22(28)27(25-18)19-5-3-2-4-17(19)23/h2-10,25H,11-14H2,1H3
InChIKeyAREANEBMEMWGMB-UHFFFAOYSA-N
MW429.88 g/mol
LogP1.89
Rot. Bonds7

About 2-(2-chlorophenyl)-4-[(4-fluorophenoxy)methyl]-5-(2-methoxyethyl)-1,6-dihydropyrazolo[4,3-c]pyridin-3-one

2-(2-chlorophenyl)-4-[(4-fluorophenoxy)methyl]-5-(2-methoxyethyl)-1,6-dihydropyrazolo[4,3-c]pyridin-3-one (PubChem CID 91159250) has the molecular formula C22H21ClFN3O3 and a molecular weight of 429.88 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-4-[(4-fluorophenoxy)methyl]-5-(2-methoxyethyl)-1,6-dihydropyrazolo[4,3-c]pyridin-3-one.

Molecular Properties

Compound Name2-(2-chlorophenyl)-4-[(4-fluorophenoxy)methyl]-5-(2-methoxyethyl)-1,6-dihydropyrazolo[4,3-c]pyridin-3-one
PubChem CID91159250
Molecular FormulaC22H21ClFN3O3
Molecular Weight429.88 g/mol
Exact Mass429.13
IUPAC Name2-(2-chlorophenyl)-4-[(4-fluorophenoxy)methyl]-5-(2-methoxyethyl)-1,6-dihydropyrazolo[4,3-c]pyridin-3-one
SMILESCOCCN1CC=c2[nH]n(-c3ccccc3Cl)c(=O)c2=C1COc1ccc(F)cc1
InChIInChI=1S/C22H21ClFN3O3/c1-29-13-12-26-11-10-18-21(20(26)14-30-16-8-6-15(24)7-9-16)22(28)27(25-18)19-5-3-2-4-17(19)23/h2-10,25H,11-14H2,1H3
InChIKeyAREANEBMEMWGMB-UHFFFAOYSA-N
XLogP1.89
TPSA59.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.88
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-4-[(4-fluorophenoxy)methyl]-5-(2-methoxyethyl)-1,6-dihydropyrazolo[4,3-c]pyridin-3-one?
The IUPAC name of 2-(2-chlorophenyl)-4-[(4-fluorophenoxy)methyl]-5-(2-methoxyethyl)-1,6-dihydropyrazolo[4,3-c]pyridin-3-one (CID 91159250) is 2-(2-chlorophenyl)-4-[(4-fluorophenoxy)methyl]-5-(2-methoxyethyl)-1,6-dihydropyrazolo[4,3-c]pyridin-3-one.
What is the SMILES notation for 2-(2-chlorophenyl)-4-[(4-fluorophenoxy)methyl]-5-(2-methoxyethyl)-1,6-dihydropyrazolo[4,3-c]pyridin-3-one?
The canonical SMILES for 2-(2-chlorophenyl)-4-[(4-fluorophenoxy)methyl]-5-(2-methoxyethyl)-1,6-dihydropyrazolo[4,3-c]pyridin-3-one is COCCN1CC=c2[nH]n(-c3ccccc3Cl)c(=O)c2=C1COc1ccc(F)cc1.
What is the InChIKey of 2-(2-chlorophenyl)-4-[(4-fluorophenoxy)methyl]-5-(2-methoxyethyl)-1,6-dihydropyrazolo[4,3-c]pyridin-3-one?
The InChIKey is AREANEBMEMWGMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClFN3O3/c1-29-13-12-26-11-10-18-21(20(26)14-30-16-8-6-15(24)7-9-16)22(28)27(25-18)19-5-3-2-4-17(19)23/h2-10,25H,11-14H2,1H3.
What are the key properties of 2-(2-chlorophenyl)-4-[(4-fluorophenoxy)methyl]-5-(2-methoxyethyl)-1,6-dihydropyrazolo[4,3-c]pyridin-3-one?
2-(2-chlorophenyl)-4-[(4-fluorophenoxy)methyl]-5-(2-methoxyethyl)-1,6-dihydropyrazolo[4,3-c]pyridin-3-one has a molecular weight of 429.88 g/mol, XLogP of 1.89, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-4-[(4-fluorophenoxy)methyl]-5-(2-methoxyethyl)-1,6-dihydropyrazolo[4,3-c]pyridin-3-one is sourced from PubChem (CID 91159250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).