N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-4-[2-(dimethylamino)ethyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide

C30H29FN6O4 — CID 56847487

IUPACN-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-4-[2-(dimethylamino)ethyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide
SMILESCOc1cc2nccc(Oc3ccc(NC(=O)c4nn(-c5ccc(F)cc5)cc4CCN(C)C)nc3)c2cc1OC
InChIInChI=1S/C30H29FN6O4/c1-36(2)14-12-19-18-37(21-7-5-20(31)6-8-21)35-29(19)30(38)34-28-10-9-22(17-33-28)41-25-11-13-32-24-16-27(40-4)26(39-3)15-23(24)25/h5-11,13,15-18H,12,14H2,1-4H3,(H,33,34,38)
InChIKeyJEPIWKDWZHOREL-UHFFFAOYSA-N
MW556.60 g/mol
LogP5.12
Rot. Bonds10

About N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-4-[2-(dimethylamino)ethyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide

N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-4-[2-(dimethylamino)ethyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide (PubChem CID 56847487) has the molecular formula C30H29FN6O4 and a molecular weight of 556.60 g/mol. Its IUPAC name is N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-4-[2-(dimethylamino)ethyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-4-[2-(dimethylamino)ethyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide
PubChem CID56847487
Molecular FormulaC30H29FN6O4
Molecular Weight556.60 g/mol
Exact Mass556.22
IUPAC NameN-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-4-[2-(dimethylamino)ethyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide
SMILESCOc1cc2nccc(Oc3ccc(NC(=O)c4nn(-c5ccc(F)cc5)cc4CCN(C)C)nc3)c2cc1OC
InChIInChI=1S/C30H29FN6O4/c1-36(2)14-12-19-18-37(21-7-5-20(31)6-8-21)35-29(19)30(38)34-28-10-9-22(17-33-28)41-25-11-13-32-24-16-27(40-4)26(39-3)15-23(24)25/h5-11,13,15-18H,12,14H2,1-4H3,(H,33,34,38)
InChIKeyJEPIWKDWZHOREL-UHFFFAOYSA-N
XLogP5.12
TPSA103.63 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.60
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-4-[2-(dimethylamino)ethyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide 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 N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-4-[2-(dimethylamino)ethyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide?
The IUPAC name of N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-4-[2-(dimethylamino)ethyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide (CID 56847487) is N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-4-[2-(dimethylamino)ethyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide.
What is the SMILES notation for N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-4-[2-(dimethylamino)ethyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide?
The canonical SMILES for N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-4-[2-(dimethylamino)ethyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide is COc1cc2nccc(Oc3ccc(NC(=O)c4nn(-c5ccc(F)cc5)cc4CCN(C)C)nc3)c2cc1OC.
What is the InChIKey of N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-4-[2-(dimethylamino)ethyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide?
The InChIKey is JEPIWKDWZHOREL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29FN6O4/c1-36(2)14-12-19-18-37(21-7-5-20(31)6-8-21)35-29(19)30(38)34-28-10-9-22(17-33-28)41-25-11-13-32-24-16-27(40-4)26(39-3)15-23(24)25/h5-11,13,15-18H,12,14H2,1-4H3,(H,33,34,38).
What are the key properties of N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-4-[2-(dimethylamino)ethyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide?
N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-4-[2-(dimethylamino)ethyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide has a molecular weight of 556.60 g/mol, XLogP of 5.12, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-4-[2-(dimethylamino)ethyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 56847487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).