1-[(7-chloroquinolin-3-yl)methyl]-N-[(2-fluoro-3-methoxyphenyl)methyl]-3-(methoxymethyl)pyrazole-4-carboxamide

C24H22ClFN4O3 — CID 121365013

IUPAC1-[(7-chloroquinolin-3-yl)methyl]-N-[(2-fluoro-3-methoxyphenyl)methyl]-3-(methoxymethyl)pyrazole-4-carboxamide
SMILESCOCc1nn(Cc2cnc3cc(Cl)ccc3c2)cc1C(=O)NCc1cccc(OC)c1F
InChIInChI=1S/C24H22ClFN4O3/c1-32-14-21-19(24(31)28-11-17-4-3-5-22(33-2)23(17)26)13-30(29-21)12-15-8-16-6-7-18(25)9-20(16)27-10-15/h3-10,13H,11-12,14H2,1-2H3,(H,28,31)
InChIKeyWPIUJKAYUGBTDW-UHFFFAOYSA-N
MW468.92 g/mol
LogP4.36
Rot. Bonds8

About 1-[(7-chloroquinolin-3-yl)methyl]-N-[(2-fluoro-3-methoxyphenyl)methyl]-3-(methoxymethyl)pyrazole-4-carboxamide

1-[(7-chloroquinolin-3-yl)methyl]-N-[(2-fluoro-3-methoxyphenyl)methyl]-3-(methoxymethyl)pyrazole-4-carboxamide (PubChem CID 121365013) has the molecular formula C24H22ClFN4O3 and a molecular weight of 468.92 g/mol. Its IUPAC name is 1-[(7-chloroquinolin-3-yl)methyl]-N-[(2-fluoro-3-methoxyphenyl)methyl]-3-(methoxymethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[(7-chloroquinolin-3-yl)methyl]-N-[(2-fluoro-3-methoxyphenyl)methyl]-3-(methoxymethyl)pyrazole-4-carboxamide
PubChem CID121365013
Molecular FormulaC24H22ClFN4O3
Molecular Weight468.92 g/mol
Exact Mass468.14
IUPAC Name1-[(7-chloroquinolin-3-yl)methyl]-N-[(2-fluoro-3-methoxyphenyl)methyl]-3-(methoxymethyl)pyrazole-4-carboxamide
SMILESCOCc1nn(Cc2cnc3cc(Cl)ccc3c2)cc1C(=O)NCc1cccc(OC)c1F
InChIInChI=1S/C24H22ClFN4O3/c1-32-14-21-19(24(31)28-11-17-4-3-5-22(33-2)23(17)26)13-30(29-21)12-15-8-16-6-7-18(25)9-20(16)27-10-15/h3-10,13H,11-12,14H2,1-2H3,(H,28,31)
InChIKeyWPIUJKAYUGBTDW-UHFFFAOYSA-N
XLogP4.36
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.92
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[(7-chloroquinolin-3-yl)methyl]-N-[(2-fluoro-3-methoxyphenyl)methyl]-3-(methoxymethyl)pyrazole-4-carboxamide with MolForge

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Related Compounds

N-[1-[[(1R)-1-[4-(3-chloroindazol-1-yl)-2-fluorophenyl]ethyl]carbamoyl]cyclopropyl]-5-methoxypyridine-3-carboxamide
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US11001578, Example 99
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N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-3-methoxy-N-methylbenzamide
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US11180484, Example 14 from WO 013/111108
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US11613527, Example 104
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US11613527, Example 132
CID 162779170
US11613527, Example 8
CID 162779186
US11613527, Example 102
CID 162779229
US11613527, Example 117
CID 162779256
US11613527, Example RC1
CID 163284777

Frequently Asked Questions

What is the IUPAC name of 1-[(7-chloroquinolin-3-yl)methyl]-N-[(2-fluoro-3-methoxyphenyl)methyl]-3-(methoxymethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-[(7-chloroquinolin-3-yl)methyl]-N-[(2-fluoro-3-methoxyphenyl)methyl]-3-(methoxymethyl)pyrazole-4-carboxamide (CID 121365013) is 1-[(7-chloroquinolin-3-yl)methyl]-N-[(2-fluoro-3-methoxyphenyl)methyl]-3-(methoxymethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-[(7-chloroquinolin-3-yl)methyl]-N-[(2-fluoro-3-methoxyphenyl)methyl]-3-(methoxymethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-[(7-chloroquinolin-3-yl)methyl]-N-[(2-fluoro-3-methoxyphenyl)methyl]-3-(methoxymethyl)pyrazole-4-carboxamide is COCc1nn(Cc2cnc3cc(Cl)ccc3c2)cc1C(=O)NCc1cccc(OC)c1F.
What is the InChIKey of 1-[(7-chloroquinolin-3-yl)methyl]-N-[(2-fluoro-3-methoxyphenyl)methyl]-3-(methoxymethyl)pyrazole-4-carboxamide?
The InChIKey is WPIUJKAYUGBTDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClFN4O3/c1-32-14-21-19(24(31)28-11-17-4-3-5-22(33-2)23(17)26)13-30(29-21)12-15-8-16-6-7-18(25)9-20(16)27-10-15/h3-10,13H,11-12,14H2,1-2H3,(H,28,31).
What are the key properties of 1-[(7-chloroquinolin-3-yl)methyl]-N-[(2-fluoro-3-methoxyphenyl)methyl]-3-(methoxymethyl)pyrazole-4-carboxamide?
1-[(7-chloroquinolin-3-yl)methyl]-N-[(2-fluoro-3-methoxyphenyl)methyl]-3-(methoxymethyl)pyrazole-4-carboxamide has a molecular weight of 468.92 g/mol, XLogP of 4.36, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(7-chloroquinolin-3-yl)methyl]-N-[(2-fluoro-3-methoxyphenyl)methyl]-3-(methoxymethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 121365013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).