N-[3-fluoro-4-[6-methoxy-7-(2-oxa-7-azaspiro[4.4]nonan-7-ylmethyl)quinolin-4-yl]oxyphenyl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide

C36H36FN5O5 — CID 46206491

IUPACN-[3-fluoro-4-[6-methoxy-7-(2-oxa-7-azaspiro[4.4]nonan-7-ylmethyl)quinolin-4-yl]oxyphenyl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide
SMILESCOc1cc2c(Oc3ccc(NC(=O)c4c(C)n(C)n(-c5ccccc5)c4=O)cc3F)ccnc2cc1CN1CCC2(CCOC2)C1
InChIInChI=1S/C36H36FN5O5/c1-23-33(35(44)42(40(23)2)26-7-5-4-6-8-26)34(43)39-25-9-10-31(28(37)18-25)47-30-11-14-38-29-17-24(32(45-3)19-27(29)30)20-41-15-12-36(21-41)13-16-46-22-36/h4-11,14,17-19H,12-13,15-16,20-22H2,1-3H3,(H,39,43)
InChIKeyUZUJQBPBOBFKCI-UHFFFAOYSA-N
MW637.71 g/mol
LogP5.84
Rot. Bonds8

About N-[3-fluoro-4-[6-methoxy-7-(2-oxa-7-azaspiro[4.4]nonan-7-ylmethyl)quinolin-4-yl]oxyphenyl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide

N-[3-fluoro-4-[6-methoxy-7-(2-oxa-7-azaspiro[4.4]nonan-7-ylmethyl)quinolin-4-yl]oxyphenyl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide (PubChem CID 46206491) has the molecular formula C36H36FN5O5 and a molecular weight of 637.71 g/mol. Its IUPAC name is N-[3-fluoro-4-[6-methoxy-7-(2-oxa-7-azaspiro[4.4]nonan-7-ylmethyl)quinolin-4-yl]oxyphenyl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-fluoro-4-[6-methoxy-7-(2-oxa-7-azaspiro[4.4]nonan-7-ylmethyl)quinolin-4-yl]oxyphenyl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide
PubChem CID46206491
Molecular FormulaC36H36FN5O5
Molecular Weight637.71 g/mol
Exact Mass637.27
IUPAC NameN-[3-fluoro-4-[6-methoxy-7-(2-oxa-7-azaspiro[4.4]nonan-7-ylmethyl)quinolin-4-yl]oxyphenyl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide
SMILESCOc1cc2c(Oc3ccc(NC(=O)c4c(C)n(C)n(-c5ccccc5)c4=O)cc3F)ccnc2cc1CN1CCC2(CCOC2)C1
InChIInChI=1S/C36H36FN5O5/c1-23-33(35(44)42(40(23)2)26-7-5-4-6-8-26)34(43)39-25-9-10-31(28(37)18-25)47-30-11-14-38-29-17-24(32(45-3)19-27(29)30)20-41-15-12-36(21-41)13-16-46-22-36/h4-11,14,17-19H,12-13,15-16,20-22H2,1-3H3,(H,39,43)
InChIKeyUZUJQBPBOBFKCI-UHFFFAOYSA-N
XLogP5.84
TPSA99.85 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500637.71
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[3-fluoro-4-[6-methoxy-7-(2-oxa-7-azaspiro[4.4]nonan-7-ylmethyl)quinolin-4-yl]oxyphenyl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-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-[3-fluoro-4-[6-methoxy-7-(2-oxa-7-azaspiro[4.4]nonan-7-ylmethyl)quinolin-4-yl]oxyphenyl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide?
The IUPAC name of N-[3-fluoro-4-[6-methoxy-7-(2-oxa-7-azaspiro[4.4]nonan-7-ylmethyl)quinolin-4-yl]oxyphenyl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide (CID 46206491) is N-[3-fluoro-4-[6-methoxy-7-(2-oxa-7-azaspiro[4.4]nonan-7-ylmethyl)quinolin-4-yl]oxyphenyl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-[3-fluoro-4-[6-methoxy-7-(2-oxa-7-azaspiro[4.4]nonan-7-ylmethyl)quinolin-4-yl]oxyphenyl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-[3-fluoro-4-[6-methoxy-7-(2-oxa-7-azaspiro[4.4]nonan-7-ylmethyl)quinolin-4-yl]oxyphenyl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide is COc1cc2c(Oc3ccc(NC(=O)c4c(C)n(C)n(-c5ccccc5)c4=O)cc3F)ccnc2cc1CN1CCC2(CCOC2)C1.
What is the InChIKey of N-[3-fluoro-4-[6-methoxy-7-(2-oxa-7-azaspiro[4.4]nonan-7-ylmethyl)quinolin-4-yl]oxyphenyl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide?
The InChIKey is UZUJQBPBOBFKCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H36FN5O5/c1-23-33(35(44)42(40(23)2)26-7-5-4-6-8-26)34(43)39-25-9-10-31(28(37)18-25)47-30-11-14-38-29-17-24(32(45-3)19-27(29)30)20-41-15-12-36(21-41)13-16-46-22-36/h4-11,14,17-19H,12-13,15-16,20-22H2,1-3H3,(H,39,43).
What are the key properties of N-[3-fluoro-4-[6-methoxy-7-(2-oxa-7-azaspiro[4.4]nonan-7-ylmethyl)quinolin-4-yl]oxyphenyl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide?
N-[3-fluoro-4-[6-methoxy-7-(2-oxa-7-azaspiro[4.4]nonan-7-ylmethyl)quinolin-4-yl]oxyphenyl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide has a molecular weight of 637.71 g/mol, XLogP of 5.84, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-4-[6-methoxy-7-(2-oxa-7-azaspiro[4.4]nonan-7-ylmethyl)quinolin-4-yl]oxyphenyl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 46206491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).