N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]-4-ethoxy-1-(1-methylpiperidin-3-yl)pyrazole-3-carboxamide

C29H32FN5O5 — CID 134392192

IUPACN-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]-4-ethoxy-1-(1-methylpiperidin-3-yl)pyrazole-3-carboxamide
SMILESCCOc1cn(C2CCCN(C)C2)nc1C(=O)Nc1ccc(Oc2ccnc3cc(OC)c(OC)cc23)cc1F
InChIInChI=1S/C29H32FN5O5/c1-5-39-27-17-35(18-7-6-12-34(2)16-18)33-28(27)29(36)32-22-9-8-19(13-21(22)30)40-24-10-11-31-23-15-26(38-4)25(37-3)14-20(23)24/h8-11,13-15,17-18H,5-7,12,16H2,1-4H3,(H,32,36)
InChIKeyQKYAKIXIRTYRMS-UHFFFAOYSA-N
MW549.60 g/mol
LogP5.30
Rot. Bonds9

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

N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]-4-ethoxy-1-(1-methylpiperidin-3-yl)pyrazole-3-carboxamide (PubChem CID 134392192) has the molecular formula C29H32FN5O5 and a molecular weight of 549.60 g/mol. Its IUPAC name is N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]-4-ethoxy-1-(1-methylpiperidin-3-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]-4-ethoxy-1-(1-methylpiperidin-3-yl)pyrazole-3-carboxamide
PubChem CID134392192
Molecular FormulaC29H32FN5O5
Molecular Weight549.60 g/mol
Exact Mass549.24
IUPAC NameN-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]-4-ethoxy-1-(1-methylpiperidin-3-yl)pyrazole-3-carboxamide
SMILESCCOc1cn(C2CCCN(C)C2)nc1C(=O)Nc1ccc(Oc2ccnc3cc(OC)c(OC)cc23)cc1F
InChIInChI=1S/C29H32FN5O5/c1-5-39-27-17-35(18-7-6-12-34(2)16-18)33-28(27)29(36)32-22-9-8-19(13-21(22)30)40-24-10-11-31-23-15-26(38-4)25(37-3)14-20(23)24/h8-11,13-15,17-18H,5-7,12,16H2,1-4H3,(H,32,36)
InChIKeyQKYAKIXIRTYRMS-UHFFFAOYSA-N
XLogP5.30
TPSA99.97 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.60
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

1-(3-chloropyrazin-2-yl)-N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]-4-ethoxypyrazole-3-carboxamide
CID 134392171
N-cyclohexyl-3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluoroanilino]-1-methylpyrazole-4-carboxamide
CID 139555505
1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]-3-(3,3-dimethylbutyl)urea
CID 23022829
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
1-(3,3-dimethylbutyl)-3-[2-fluoro-4-[7-[3-(4-hydroxypiperidin-1-yl)propoxy]-6-methoxyquinolin-4-yl]oxyphenyl]urea
CID 23022830
N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-4-ethoxy-1-(4-fluoro-2-methylphenyl)pyrazole-3-carboxamide
CID 56847546
N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-4-ethoxy-1-[2-fluoro-4-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 122632950
N-[6-(6,7-dimethoxyquinolin-4-yl)oxycyclododecyl]-4-ethoxy-1-methylpyrazole-3-carboxamide
CID 134396138
N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-4-ethoxy-1-(3-methylimidazol-4-yl)pyrazole-3-carboxamide
CID 134392113
1-[2-fluoro-4-(7-methoxy-6-methylquinolin-4-yl)oxyphenyl]-3-methylurea
CID 70953580
1-cyclopropyl-3-[2-fluoro-4-[6-isocyano-7-[(1-methylpiperidin-4-yl)methoxy]quinolin-4-yl]oxyphenyl]urea
CID 58931266
4-(cyclopropylmethoxy)-N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-1-(4-fluoro-2-phenoxyphenyl)pyrazole-3-carboxamide
CID 134392253

Frequently Asked Questions

What is the IUPAC name of N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]-4-ethoxy-1-(1-methylpiperidin-3-yl)pyrazole-3-carboxamide?
The IUPAC name of N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]-4-ethoxy-1-(1-methylpiperidin-3-yl)pyrazole-3-carboxamide (CID 134392192) is N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]-4-ethoxy-1-(1-methylpiperidin-3-yl)pyrazole-3-carboxamide.
What is the SMILES notation for N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]-4-ethoxy-1-(1-methylpiperidin-3-yl)pyrazole-3-carboxamide?
The canonical SMILES for N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]-4-ethoxy-1-(1-methylpiperidin-3-yl)pyrazole-3-carboxamide is CCOc1cn(C2CCCN(C)C2)nc1C(=O)Nc1ccc(Oc2ccnc3cc(OC)c(OC)cc23)cc1F.
What is the InChIKey of N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]-4-ethoxy-1-(1-methylpiperidin-3-yl)pyrazole-3-carboxamide?
The InChIKey is QKYAKIXIRTYRMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32FN5O5/c1-5-39-27-17-35(18-7-6-12-34(2)16-18)33-28(27)29(36)32-22-9-8-19(13-21(22)30)40-24-10-11-31-23-15-26(38-4)25(37-3)14-20(23)24/h8-11,13-15,17-18H,5-7,12,16H2,1-4H3,(H,32,36).
What are the key properties of N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]-4-ethoxy-1-(1-methylpiperidin-3-yl)pyrazole-3-carboxamide?
N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]-4-ethoxy-1-(1-methylpiperidin-3-yl)pyrazole-3-carboxamide has a molecular weight of 549.60 g/mol, XLogP of 5.30, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]-4-ethoxy-1-(1-methylpiperidin-3-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 134392192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).