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

C26H25N7O5 — CID 134392113

IUPACN-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-4-ethoxy-1-(3-methylimidazol-4-yl)pyrazole-3-carboxamide
SMILESCCOc1cn(-c2cncn2C)nc1C(=O)Nc1ccc(Oc2ccnc3cc(OC)c(OC)cc23)cn1
InChIInChI=1S/C26H25N7O5/c1-5-37-22-14-33(24-13-27-15-32(24)2)31-25(22)26(34)30-23-7-6-16(12-29-23)38-19-8-9-28-18-11-21(36-4)20(35-3)10-17(18)19/h6-15H,5H2,1-4H3,(H,29,30,34)
InChIKeyDXSVZOGHDIKPLB-UHFFFAOYSA-N
MW515.53 g/mol
LogP4.01
Rot. Bonds9

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

N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-4-ethoxy-1-(3-methylimidazol-4-yl)pyrazole-3-carboxamide (PubChem CID 134392113) has the molecular formula C26H25N7O5 and a molecular weight of 515.53 g/mol. Its IUPAC name is N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-4-ethoxy-1-(3-methylimidazol-4-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-4-ethoxy-1-(3-methylimidazol-4-yl)pyrazole-3-carboxamide
PubChem CID134392113
Molecular FormulaC26H25N7O5
Molecular Weight515.53 g/mol
Exact Mass515.19
IUPAC NameN-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-4-ethoxy-1-(3-methylimidazol-4-yl)pyrazole-3-carboxamide
SMILESCCOc1cn(-c2cncn2C)nc1C(=O)Nc1ccc(Oc2ccnc3cc(OC)c(OC)cc23)cn1
InChIInChI=1S/C26H25N7O5/c1-5-37-22-14-33(24-13-27-15-32(24)2)31-25(22)26(34)30-23-7-6-16(12-29-23)38-19-8-9-28-18-11-21(36-4)20(35-3)10-17(18)19/h6-15H,5H2,1-4H3,(H,29,30,34)
InChIKeyDXSVZOGHDIKPLB-UHFFFAOYSA-N
XLogP4.01
TPSA127.44 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.53
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

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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
1-(2-chloro-3-pyridinyl)-N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-4-ethoxypyrazole-3-carboxamide
CID 122633118
4-ethoxy-N-[5-(6-methoxy-7-propan-2-yloxyquinolin-4-yl)oxy-2-pyridinyl]-1-pyridin-3-ylpyrazole-3-carboxamide
CID 134392191
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]-1-[4-[(dimethylamino)methyl]-3-pyridinyl]-4-ethoxypyrazole-3-carboxamide
CID 122632984
1-(4-cyclopropylpyrimidin-5-yl)-N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-4-ethoxypyrazole-3-carboxamide
CID 134392159
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-[3-[(dimethylamino)methyl]-2-pyridinyl]-4-ethoxypyrazole-3-carboxamide
CID 122632993
1-[4-chloro-3-[(dimethylamino)methyl]phenyl]-N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-4-ethoxypyrazole-3-carboxamide
CID 122632979
N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-4-ethoxy-1-(6-methoxy-4,5-dihydropyrimidin-5-yl)pyrazole-3-carboxamide
CID 146575392
N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-3-ethoxy-1-pyridin-3-ylpyrazole-4-carboxamide
CID 122632980
1-(2-aminopyrimidin-5-yl)-4-(azetidin-3-ylmethoxy)-N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]pyrazole-3-carboxamide
CID 134392247

Frequently Asked Questions

What is the IUPAC name of N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-4-ethoxy-1-(3-methylimidazol-4-yl)pyrazole-3-carboxamide?
The IUPAC name of N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-4-ethoxy-1-(3-methylimidazol-4-yl)pyrazole-3-carboxamide (CID 134392113) is N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-4-ethoxy-1-(3-methylimidazol-4-yl)pyrazole-3-carboxamide.
What is the SMILES notation for N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-4-ethoxy-1-(3-methylimidazol-4-yl)pyrazole-3-carboxamide?
The canonical SMILES for N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-4-ethoxy-1-(3-methylimidazol-4-yl)pyrazole-3-carboxamide is CCOc1cn(-c2cncn2C)nc1C(=O)Nc1ccc(Oc2ccnc3cc(OC)c(OC)cc23)cn1.
What is the InChIKey of N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-4-ethoxy-1-(3-methylimidazol-4-yl)pyrazole-3-carboxamide?
The InChIKey is DXSVZOGHDIKPLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N7O5/c1-5-37-22-14-33(24-13-27-15-32(24)2)31-25(22)26(34)30-23-7-6-16(12-29-23)38-19-8-9-28-18-11-21(36-4)20(35-3)10-17(18)19/h6-15H,5H2,1-4H3,(H,29,30,34).
What are the key properties of N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-4-ethoxy-1-(3-methylimidazol-4-yl)pyrazole-3-carboxamide?
N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-4-ethoxy-1-(3-methylimidazol-4-yl)pyrazole-3-carboxamide has a molecular weight of 515.53 g/mol, XLogP of 4.01, 9 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-4-ethoxy-1-(3-methylimidazol-4-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 134392113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).