1-(2-chloro-3-pyridinyl)-N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-4-ethoxypyrazole-3-carboxamide

C27H23ClN6O5 — CID 122633118

IUPAC1-(2-chloro-3-pyridinyl)-N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-4-ethoxypyrazole-3-carboxamide
SMILESCCOc1cn(-c2cccnc2Cl)nc1C(=O)Nc1ccc(Oc2ccnc3cc(OC)c(OC)cc23)cn1
InChIInChI=1S/C27H23ClN6O5/c1-4-38-23-15-34(19-6-5-10-30-26(19)28)33-25(23)27(35)32-24-8-7-16(14-31-24)39-20-9-11-29-18-13-22(37-3)21(36-2)12-17(18)20/h5-15H,4H2,1-3H3,(H,31,32,35)
InChIKeySJRMFVGTUHQLCT-UHFFFAOYSA-N
MW546.97 g/mol
LogP5.32
Rot. Bonds9

About 1-(2-chloro-3-pyridinyl)-N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-4-ethoxypyrazole-3-carboxamide

1-(2-chloro-3-pyridinyl)-N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-4-ethoxypyrazole-3-carboxamide (PubChem CID 122633118) has the molecular formula C27H23ClN6O5 and a molecular weight of 546.97 g/mol. Its IUPAC name is 1-(2-chloro-3-pyridinyl)-N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-4-ethoxypyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(2-chloro-3-pyridinyl)-N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-4-ethoxypyrazole-3-carboxamide
PubChem CID122633118
Molecular FormulaC27H23ClN6O5
Molecular Weight546.97 g/mol
Exact Mass546.14
IUPAC Name1-(2-chloro-3-pyridinyl)-N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-4-ethoxypyrazole-3-carboxamide
SMILESCCOc1cn(-c2cccnc2Cl)nc1C(=O)Nc1ccc(Oc2ccnc3cc(OC)c(OC)cc23)cn1
InChIInChI=1S/C27H23ClN6O5/c1-4-38-23-15-34(19-6-5-10-30-26(19)28)33-25(23)27(35)32-24-8-7-16(14-31-24)39-20-9-11-29-18-13-22(37-3)21(36-2)12-17(18)20/h5-15H,4H2,1-3H3,(H,31,32,35)
InChIKeySJRMFVGTUHQLCT-UHFFFAOYSA-N
XLogP5.32
TPSA122.51 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.97
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-4-ethoxy-1-(1,3-oxazol-2-yl)pyrazole-3-carboxamide
CID 122633080
N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-1-[3-[(dimethylamino)methyl]-2-pyridinyl]-4-ethoxypyrazole-3-carboxamide
CID 122632993
N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-4-ethoxy-1-(3-methylimidazol-4-yl)pyrazole-3-carboxamide
CID 134392113
N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-4-ethoxy-1-[4-(2-hydroxyethyl)-3-pyridinyl]pyrazole-3-carboxamide
CID 122632949
N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-4-ethoxy-1-[2-fluoro-4-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 122632950
N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-1-[4-[(dimethylamino)methyl]-3-pyridinyl]-4-ethoxypyrazole-3-carboxamide
CID 122632984
4-ethoxy-N-[5-(6-methoxy-7-propan-2-yloxyquinolin-4-yl)oxy-2-pyridinyl]-1-pyridin-3-ylpyrazole-3-carboxamide
CID 134392191
1-(4-cyclopropylpyrimidin-5-yl)-N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-4-ethoxypyrazole-3-carboxamide
CID 134392159
1-[4-chloro-3-[(dimethylamino)methyl]phenyl]-N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-4-ethoxypyrazole-3-carboxamide
CID 122632979
4-(cyclopropylmethoxy)-N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-1-(4-fluoro-2-phenoxyphenyl)pyrazole-3-carboxamide
CID 134392253
1-(4-chloro-2-methylphenyl)-N-[5-[(6,7-dimethoxyquinolin-4-yl)methoxy]-2-pyridinyl]-4-ethoxypyrazole-3-carboxamide
CID 146576289
1-(3-chloropyrazin-2-yl)-N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]-4-ethoxypyrazole-3-carboxamide
CID 134392171

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-3-pyridinyl)-N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-4-ethoxypyrazole-3-carboxamide?
The IUPAC name of 1-(2-chloro-3-pyridinyl)-N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-4-ethoxypyrazole-3-carboxamide (CID 122633118) is 1-(2-chloro-3-pyridinyl)-N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-4-ethoxypyrazole-3-carboxamide.
What is the SMILES notation for 1-(2-chloro-3-pyridinyl)-N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-4-ethoxypyrazole-3-carboxamide?
The canonical SMILES for 1-(2-chloro-3-pyridinyl)-N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-4-ethoxypyrazole-3-carboxamide is CCOc1cn(-c2cccnc2Cl)nc1C(=O)Nc1ccc(Oc2ccnc3cc(OC)c(OC)cc23)cn1.
What is the InChIKey of 1-(2-chloro-3-pyridinyl)-N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-4-ethoxypyrazole-3-carboxamide?
The InChIKey is SJRMFVGTUHQLCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23ClN6O5/c1-4-38-23-15-34(19-6-5-10-30-26(19)28)33-25(23)27(35)32-24-8-7-16(14-31-24)39-20-9-11-29-18-13-22(37-3)21(36-2)12-17(18)20/h5-15H,4H2,1-3H3,(H,31,32,35).
What are the key properties of 1-(2-chloro-3-pyridinyl)-N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-4-ethoxypyrazole-3-carboxamide?
1-(2-chloro-3-pyridinyl)-N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-4-ethoxypyrazole-3-carboxamide has a molecular weight of 546.97 g/mol, XLogP of 5.32, 9 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-3-pyridinyl)-N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-4-ethoxypyrazole-3-carboxamide is sourced from PubChem (CID 122633118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).