N-[3-fluoro-4-[6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinolin-4-yl]oxyphenyl]-7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide

C37H35F2N7O4 — CID 154637970

IUPACN-[3-fluoro-4-[6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinolin-4-yl]oxyphenyl]-7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCOc1cc2c(Oc3ccc(NC(=O)c4cc(-c5ccc(F)cc5)n5nccc5n4)cc3F)ccnc2cc1OCCCN1CCN(C)CC1
InChIInChI=1S/C37H35F2N7O4/c1-44-15-17-45(18-16-44)14-3-19-49-35-23-29-27(21-34(35)48-2)32(10-12-40-29)50-33-9-8-26(20-28(33)39)42-37(47)30-22-31(24-4-6-25(38)7-5-24)46-36(43-30)11-13-41-46/h4-13,20-23H,3,14-19H2,1-2H3,(H,42,47)
InChIKeyCFPMVJLZRTZZGO-UHFFFAOYSA-N
MW679.73 g/mol
LogP6.29
Rot. Bonds11

About N-[3-fluoro-4-[6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinolin-4-yl]oxyphenyl]-7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide

N-[3-fluoro-4-[6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinolin-4-yl]oxyphenyl]-7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide (PubChem CID 154637970) has the molecular formula C37H35F2N7O4 and a molecular weight of 679.73 g/mol. Its IUPAC name is N-[3-fluoro-4-[6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinolin-4-yl]oxyphenyl]-7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[3-fluoro-4-[6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinolin-4-yl]oxyphenyl]-7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
PubChem CID154637970
Molecular FormulaC37H35F2N7O4
Molecular Weight679.73 g/mol
Exact Mass679.27
IUPAC NameN-[3-fluoro-4-[6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinolin-4-yl]oxyphenyl]-7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCOc1cc2c(Oc3ccc(NC(=O)c4cc(-c5ccc(F)cc5)n5nccc5n4)cc3F)ccnc2cc1OCCCN1CCN(C)CC1
InChIInChI=1S/C37H35F2N7O4/c1-44-15-17-45(18-16-44)14-3-19-49-35-23-29-27(21-34(35)48-2)32(10-12-40-29)50-33-9-8-26(20-28(33)39)42-37(47)30-22-31(24-4-6-25(38)7-5-24)46-36(43-30)11-13-41-46/h4-13,20-23H,3,14-19H2,1-2H3,(H,42,47)
InChIKeyCFPMVJLZRTZZGO-UHFFFAOYSA-N
XLogP6.29
TPSA106.35 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500679.73
LogP ≤ 56.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[3-fluoro-4-[6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinolin-4-yl]oxyphenyl]-7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide with MolForge

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Related Compounds

Axl-IN-13
CID 139533572
2-benzyl-5-[3-fluoro-4-({6-methoxy-7-[3-(1H-1,2,4-triazol-1-yl)propoxy]quinolin-4-yl}oxy)phenyl]-3-methyl-3,4-dihydropyrimidin-4-one
CID 11858029
Benzamide, N-[6-[(6,7-dimethoxy-4-quinolinyl)oxy]-1-methyl-1H-indazol-3-yl]-3-(trifluoromethyl)-
CID 11398307
4-chloro-N-(6-(6,7-dimethoxyquinolin-4-yloxy)-1-methyl-1H-indazol-3-yl)picolinamide
CID 11248850
N-(6-(6,7-dimethoxyquinolin-4-yloxy)-1-methyl-1H-indazol-3-yl)-3-methylbenzamide
CID 11363357
N-(6-((6,7-bis(methyloxy)-4-quinolinyl)oxy)-1-methyl-1H-indazol-3-yl)-4-(methyloxy)benzamide
CID 11363728
3-chloro-N-(6-(6,7-dimethoxyquinolin-4-yloxy)-1-methyl-1H-indazol-3-yl)-4-fluorobenzamide
CID 11409568
4-chloro-N-(6-(6,7-dimethoxyquinolin-4-yloxy)-1-methyl-1H-indazol-3-yl)benzamide
CID 11443197
N-(6-(6,7-dimethoxyquinolin-4-yloxy)-1-methyl-1H-indazol-3-yl)-3,5-bis(trifluoromethyl)benzamide
CID 11444696
N-(6-(6,7-dimethoxyquinolin-4-yloxy)-1-methyl-1H-indazol-3-yl)-4-(trifluoromethyl)benzamide
CID 11466569
2-(4-((6,7-dimethoxyquinazolin-4-yl)oxy)phenyl)-N-(1-isopropyl-1H-pyrazol-4-yl)acetamide
CID 11517980
n-(1-Methylpyrazol-4-yl)-2-[4-(6,7-dimethoxyquinazolin-4-yloxy)phenyl]acetamide
CID 11589811

Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-[6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinolin-4-yl]oxyphenyl]-7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide?
The IUPAC name of N-[3-fluoro-4-[6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinolin-4-yl]oxyphenyl]-7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide (CID 154637970) is N-[3-fluoro-4-[6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinolin-4-yl]oxyphenyl]-7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide.
What is the SMILES notation for N-[3-fluoro-4-[6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinolin-4-yl]oxyphenyl]-7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide?
The canonical SMILES for N-[3-fluoro-4-[6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinolin-4-yl]oxyphenyl]-7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide is COc1cc2c(Oc3ccc(NC(=O)c4cc(-c5ccc(F)cc5)n5nccc5n4)cc3F)ccnc2cc1OCCCN1CCN(C)CC1.
What is the InChIKey of N-[3-fluoro-4-[6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinolin-4-yl]oxyphenyl]-7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide?
The InChIKey is CFPMVJLZRTZZGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H35F2N7O4/c1-44-15-17-45(18-16-44)14-3-19-49-35-23-29-27(21-34(35)48-2)32(10-12-40-29)50-33-9-8-26(20-28(33)39)42-37(47)30-22-31(24-4-6-25(38)7-5-24)46-36(43-30)11-13-41-46/h4-13,20-23H,3,14-19H2,1-2H3,(H,42,47).
What are the key properties of N-[3-fluoro-4-[6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinolin-4-yl]oxyphenyl]-7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide?
N-[3-fluoro-4-[6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinolin-4-yl]oxyphenyl]-7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide has a molecular weight of 679.73 g/mol, XLogP of 6.29, 11 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-4-[6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinolin-4-yl]oxyphenyl]-7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide is sourced from PubChem (CID 154637970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).