3-tert-butyl-4-[1-[1-(cyclopropanecarbonyl)-2-methyl-5-phenoxy-3,4-dihydro-2H-quinolin-6-yl]pyrazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid

C33H38N4O4 — CID 118306132

IUPAC3-tert-butyl-4-[1-[1-(cyclopropanecarbonyl)-2-methyl-5-phenoxy-3,4-dihydro-2H-quinolin-6-yl]pyrazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid
SMILESCC1CCc2c(ccc(-n3cc(C4=CCN(C(=O)O)CC4C(C)(C)C)cn3)c2Oc2ccccc2)N1C(=O)C1CC1
InChIInChI=1S/C33H38N4O4/c1-21-10-13-26-28(37(21)31(38)22-11-12-22)14-15-29(30(26)41-24-8-6-5-7-9-24)36-19-23(18-34-36)25-16-17-35(32(39)40)20-27(25)33(2,3)4/h5-9,14-16,18-19,21-22,27H,10-13,17,20H2,1-4H3,(H,39,40)
InChIKeyHIDOANUWPGQACK-UHFFFAOYSA-N
MW554.69 g/mol
LogP6.78
Rot. Bonds5

About 3-tert-butyl-4-[1-[1-(cyclopropanecarbonyl)-2-methyl-5-phenoxy-3,4-dihydro-2H-quinolin-6-yl]pyrazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid

3-tert-butyl-4-[1-[1-(cyclopropanecarbonyl)-2-methyl-5-phenoxy-3,4-dihydro-2H-quinolin-6-yl]pyrazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid (PubChem CID 118306132) has the molecular formula C33H38N4O4 and a molecular weight of 554.69 g/mol. Its IUPAC name is 3-tert-butyl-4-[1-[1-(cyclopropanecarbonyl)-2-methyl-5-phenoxy-3,4-dihydro-2H-quinolin-6-yl]pyrazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid.

Molecular Properties

Compound Name3-tert-butyl-4-[1-[1-(cyclopropanecarbonyl)-2-methyl-5-phenoxy-3,4-dihydro-2H-quinolin-6-yl]pyrazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid
PubChem CID118306132
Molecular FormulaC33H38N4O4
Molecular Weight554.69 g/mol
Exact Mass554.29
IUPAC Name3-tert-butyl-4-[1-[1-(cyclopropanecarbonyl)-2-methyl-5-phenoxy-3,4-dihydro-2H-quinolin-6-yl]pyrazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid
SMILESCC1CCc2c(ccc(-n3cc(C4=CCN(C(=O)O)CC4C(C)(C)C)cn3)c2Oc2ccccc2)N1C(=O)C1CC1
InChIInChI=1S/C33H38N4O4/c1-21-10-13-26-28(37(21)31(38)22-11-12-22)14-15-29(30(26)41-24-8-6-5-7-9-24)36-19-23(18-34-36)25-16-17-35(32(39)40)20-27(25)33(2,3)4/h5-9,14-16,18-19,21-22,27H,10-13,17,20H2,1-4H3,(H,39,40)
InChIKeyHIDOANUWPGQACK-UHFFFAOYSA-N
XLogP6.78
TPSA87.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.69
LogP ≤ 56.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-tert-butyl-4-[1-[1-(cyclopropanecarbonyl)-2-methyl-5-phenoxy-3,4-dihydro-2H-quinolin-6-yl]pyrazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylic 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 3-tert-butyl-4-[1-[1-(cyclopropanecarbonyl)-2-methyl-5-phenoxy-3,4-dihydro-2H-quinolin-6-yl]pyrazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid?
The IUPAC name of 3-tert-butyl-4-[1-[1-(cyclopropanecarbonyl)-2-methyl-5-phenoxy-3,4-dihydro-2H-quinolin-6-yl]pyrazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid (CID 118306132) is 3-tert-butyl-4-[1-[1-(cyclopropanecarbonyl)-2-methyl-5-phenoxy-3,4-dihydro-2H-quinolin-6-yl]pyrazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid.
What is the SMILES notation for 3-tert-butyl-4-[1-[1-(cyclopropanecarbonyl)-2-methyl-5-phenoxy-3,4-dihydro-2H-quinolin-6-yl]pyrazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid?
The canonical SMILES for 3-tert-butyl-4-[1-[1-(cyclopropanecarbonyl)-2-methyl-5-phenoxy-3,4-dihydro-2H-quinolin-6-yl]pyrazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid is CC1CCc2c(ccc(-n3cc(C4=CCN(C(=O)O)CC4C(C)(C)C)cn3)c2Oc2ccccc2)N1C(=O)C1CC1.
What is the InChIKey of 3-tert-butyl-4-[1-[1-(cyclopropanecarbonyl)-2-methyl-5-phenoxy-3,4-dihydro-2H-quinolin-6-yl]pyrazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid?
The InChIKey is HIDOANUWPGQACK-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H38N4O4/c1-21-10-13-26-28(37(21)31(38)22-11-12-22)14-15-29(30(26)41-24-8-6-5-7-9-24)36-19-23(18-34-36)25-16-17-35(32(39)40)20-27(25)33(2,3)4/h5-9,14-16,18-19,21-22,27H,10-13,17,20H2,1-4H3,(H,39,40).
What are the key properties of 3-tert-butyl-4-[1-[1-(cyclopropanecarbonyl)-2-methyl-5-phenoxy-3,4-dihydro-2H-quinolin-6-yl]pyrazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid?
3-tert-butyl-4-[1-[1-(cyclopropanecarbonyl)-2-methyl-5-phenoxy-3,4-dihydro-2H-quinolin-6-yl]pyrazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid has a molecular weight of 554.69 g/mol, XLogP of 6.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-4-[1-[1-(cyclopropanecarbonyl)-2-methyl-5-phenoxy-3,4-dihydro-2H-quinolin-6-yl]pyrazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid is sourced from PubChem (CID 118306132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).