2-[1-[(4-methoxyphenyl)methyl]-6-methyl-4-(5-methyl-3,4-dihydro-2H-chromen-6-yl)-7-oxopyrazolo[5,4-c]pyridin-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid

C31H35N3O6 — CID 71536239

IUPAC2-[1-[(4-methoxyphenyl)methyl]-6-methyl-4-(5-methyl-3,4-dihydro-2H-chromen-6-yl)-7-oxopyrazolo[5,4-c]pyridin-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
SMILESCOc1ccc(Cn2ncc3c(-c4ccc5c(c4C)CCCO5)c(C(OC(C)(C)C)C(=O)O)n(C)c(=O)c32)cc1
InChIInChI=1S/C31H35N3O6/c1-18-21-8-7-15-39-24(21)14-13-22(18)25-23-16-32-34(17-19-9-11-20(38-6)12-10-19)26(23)29(35)33(5)27(25)28(30(36)37)40-31(2,3)4/h9-14,16,28H,7-8,15,17H2,1-6H3,(H,36,37)
InChIKeyUBAZFRZNBCDNPB-UHFFFAOYSA-N
MW545.64 g/mol
LogP5.03
Rot. Bonds7

About 2-[1-[(4-methoxyphenyl)methyl]-6-methyl-4-(5-methyl-3,4-dihydro-2H-chromen-6-yl)-7-oxopyrazolo[5,4-c]pyridin-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid

2-[1-[(4-methoxyphenyl)methyl]-6-methyl-4-(5-methyl-3,4-dihydro-2H-chromen-6-yl)-7-oxopyrazolo[5,4-c]pyridin-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid (PubChem CID 71536239) has the molecular formula C31H35N3O6 and a molecular weight of 545.64 g/mol. Its IUPAC name is 2-[1-[(4-methoxyphenyl)methyl]-6-methyl-4-(5-methyl-3,4-dihydro-2H-chromen-6-yl)-7-oxopyrazolo[5,4-c]pyridin-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid.

Molecular Properties

Compound Name2-[1-[(4-methoxyphenyl)methyl]-6-methyl-4-(5-methyl-3,4-dihydro-2H-chromen-6-yl)-7-oxopyrazolo[5,4-c]pyridin-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
PubChem CID71536239
Molecular FormulaC31H35N3O6
Molecular Weight545.64 g/mol
Exact Mass545.25
IUPAC Name2-[1-[(4-methoxyphenyl)methyl]-6-methyl-4-(5-methyl-3,4-dihydro-2H-chromen-6-yl)-7-oxopyrazolo[5,4-c]pyridin-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
SMILESCOc1ccc(Cn2ncc3c(-c4ccc5c(c4C)CCCO5)c(C(OC(C)(C)C)C(=O)O)n(C)c(=O)c32)cc1
InChIInChI=1S/C31H35N3O6/c1-18-21-8-7-15-39-24(21)14-13-22(18)25-23-16-32-34(17-19-9-11-20(38-6)12-10-19)26(23)29(35)33(5)27(25)28(30(36)37)40-31(2,3)4/h9-14,16,28H,7-8,15,17H2,1-6H3,(H,36,37)
InChIKeyUBAZFRZNBCDNPB-UHFFFAOYSA-N
XLogP5.03
TPSA104.81 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.64
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[1-[(4-methoxyphenyl)methyl]-6-methyl-4-(5-methyl-3,4-dihydro-2H-chromen-6-yl)-7-oxopyrazolo[5,4-c]pyridin-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-methoxyphenyl)methyl]-6-methyl-4-(5-methyl-3,4-dihydro-2H-chromen-6-yl)-7-oxopyrazolo[5,4-c]pyridin-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid?
The IUPAC name of 2-[1-[(4-methoxyphenyl)methyl]-6-methyl-4-(5-methyl-3,4-dihydro-2H-chromen-6-yl)-7-oxopyrazolo[5,4-c]pyridin-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid (CID 71536239) is 2-[1-[(4-methoxyphenyl)methyl]-6-methyl-4-(5-methyl-3,4-dihydro-2H-chromen-6-yl)-7-oxopyrazolo[5,4-c]pyridin-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid.
What is the SMILES notation for 2-[1-[(4-methoxyphenyl)methyl]-6-methyl-4-(5-methyl-3,4-dihydro-2H-chromen-6-yl)-7-oxopyrazolo[5,4-c]pyridin-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid?
The canonical SMILES for 2-[1-[(4-methoxyphenyl)methyl]-6-methyl-4-(5-methyl-3,4-dihydro-2H-chromen-6-yl)-7-oxopyrazolo[5,4-c]pyridin-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid is COc1ccc(Cn2ncc3c(-c4ccc5c(c4C)CCCO5)c(C(OC(C)(C)C)C(=O)O)n(C)c(=O)c32)cc1.
What is the InChIKey of 2-[1-[(4-methoxyphenyl)methyl]-6-methyl-4-(5-methyl-3,4-dihydro-2H-chromen-6-yl)-7-oxopyrazolo[5,4-c]pyridin-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid?
The InChIKey is UBAZFRZNBCDNPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35N3O6/c1-18-21-8-7-15-39-24(21)14-13-22(18)25-23-16-32-34(17-19-9-11-20(38-6)12-10-19)26(23)29(35)33(5)27(25)28(30(36)37)40-31(2,3)4/h9-14,16,28H,7-8,15,17H2,1-6H3,(H,36,37).
What are the key properties of 2-[1-[(4-methoxyphenyl)methyl]-6-methyl-4-(5-methyl-3,4-dihydro-2H-chromen-6-yl)-7-oxopyrazolo[5,4-c]pyridin-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid?
2-[1-[(4-methoxyphenyl)methyl]-6-methyl-4-(5-methyl-3,4-dihydro-2H-chromen-6-yl)-7-oxopyrazolo[5,4-c]pyridin-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid has a molecular weight of 545.64 g/mol, XLogP of 5.03, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-methoxyphenyl)methyl]-6-methyl-4-(5-methyl-3,4-dihydro-2H-chromen-6-yl)-7-oxopyrazolo[5,4-c]pyridin-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid is sourced from PubChem (CID 71536239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).