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

C24H25N5O5 — CID 122633132

IUPACN-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-4-ethoxy-1-ethylpyrazole-5-carboxamide
SMILESCCOc1cnn(CC)c1C(=O)Nc1ccc(Oc2ccnc3cc(OC)c(OC)cc23)cn1
InChIInChI=1S/C24H25N5O5/c1-5-29-23(21(14-27-29)33-6-2)24(30)28-22-8-7-15(13-26-22)34-18-9-10-25-17-12-20(32-4)19(31-3)11-16(17)18/h7-14H,5-6H2,1-4H3,(H,26,28,30)
InChIKeyWJPZCPRGFIBWRE-UHFFFAOYSA-N
MW463.49 g/mol
LogP4.31
Rot. Bonds9

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

N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-4-ethoxy-1-ethylpyrazole-5-carboxamide (PubChem CID 122633132) has the molecular formula C24H25N5O5 and a molecular weight of 463.49 g/mol. Its IUPAC name is N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-4-ethoxy-1-ethylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-4-ethoxy-1-ethylpyrazole-5-carboxamide
PubChem CID122633132
Molecular FormulaC24H25N5O5
Molecular Weight463.49 g/mol
Exact Mass463.19
IUPAC NameN-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-4-ethoxy-1-ethylpyrazole-5-carboxamide
SMILESCCOc1cnn(CC)c1C(=O)Nc1ccc(Oc2ccnc3cc(OC)c(OC)cc23)cn1
InChIInChI=1S/C24H25N5O5/c1-5-29-23(21(14-27-29)33-6-2)24(30)28-22-8-7-15(13-26-22)34-18-9-10-25-17-12-20(32-4)19(31-3)11-16(17)18/h7-14H,5-6H2,1-4H3,(H,26,28,30)
InChIKeyWJPZCPRGFIBWRE-UHFFFAOYSA-N
XLogP4.31
TPSA109.62 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms34
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.49
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-4-ethoxy-1-ethylpyrazole-5-carboxamide?
The IUPAC name of N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-4-ethoxy-1-ethylpyrazole-5-carboxamide (CID 122633132) is N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-4-ethoxy-1-ethylpyrazole-5-carboxamide.
What is the SMILES notation for N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-4-ethoxy-1-ethylpyrazole-5-carboxamide?
The canonical SMILES for N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-4-ethoxy-1-ethylpyrazole-5-carboxamide is CCOc1cnn(CC)c1C(=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-ethylpyrazole-5-carboxamide?
The InChIKey is WJPZCPRGFIBWRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O5/c1-5-29-23(21(14-27-29)33-6-2)24(30)28-22-8-7-15(13-26-22)34-18-9-10-25-17-12-20(32-4)19(31-3)11-16(17)18/h7-14H,5-6H2,1-4H3,(H,26,28,30).
What are the key properties of N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-4-ethoxy-1-ethylpyrazole-5-carboxamide?
N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-4-ethoxy-1-ethylpyrazole-5-carboxamide has a molecular weight of 463.49 g/mol, XLogP of 4.31, 9 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-ethoxy-1-ethylpyrazole-5-carboxamide is sourced from PubChem (CID 122633132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).