2-[5-(6-fluoroquinolin-4-yl)oxy-3-methoxy-2-pyridinyl]-2-(1H-pyrazol-4-yl)acetamide

C20H16FN5O3 — CID 69277347

IUPAC2-[5-(6-fluoroquinolin-4-yl)oxy-3-methoxy-2-pyridinyl]-2-(1H-pyrazol-4-yl)acetamide
SMILESCOc1cc(Oc2ccnc3ccc(F)cc23)cnc1C(C(N)=O)c1cn[nH]c1
InChIInChI=1S/C20H16FN5O3/c1-28-17-7-13(10-24-19(17)18(20(22)27)11-8-25-26-9-11)29-16-4-5-23-15-3-2-12(21)6-14(15)16/h2-10,18H,1H3,(H2,22,27)(H,25,26)
InChIKeyOFWMHMFOBZQNOV-UHFFFAOYSA-N
MW393.38 g/mol
LogP2.91
Rot. Bonds6

About 2-[5-(6-fluoroquinolin-4-yl)oxy-3-methoxy-2-pyridinyl]-2-(1H-pyrazol-4-yl)acetamide

2-[5-(6-fluoroquinolin-4-yl)oxy-3-methoxy-2-pyridinyl]-2-(1H-pyrazol-4-yl)acetamide (PubChem CID 69277347) has the molecular formula C20H16FN5O3 and a molecular weight of 393.38 g/mol. Its IUPAC name is 2-[5-(6-fluoroquinolin-4-yl)oxy-3-methoxy-2-pyridinyl]-2-(1H-pyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-[5-(6-fluoroquinolin-4-yl)oxy-3-methoxy-2-pyridinyl]-2-(1H-pyrazol-4-yl)acetamide
PubChem CID69277347
Molecular FormulaC20H16FN5O3
Molecular Weight393.38 g/mol
Exact Mass393.12
IUPAC Name2-[5-(6-fluoroquinolin-4-yl)oxy-3-methoxy-2-pyridinyl]-2-(1H-pyrazol-4-yl)acetamide
SMILESCOc1cc(Oc2ccnc3ccc(F)cc23)cnc1C(C(N)=O)c1cn[nH]c1
InChIInChI=1S/C20H16FN5O3/c1-28-17-7-13(10-24-19(17)18(20(22)27)11-8-25-26-9-11)29-16-4-5-23-15-3-2-12(21)6-14(15)16/h2-10,18H,1H3,(H2,22,27)(H,25,26)
InChIKeyOFWMHMFOBZQNOV-UHFFFAOYSA-N
XLogP2.91
TPSA116.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.38
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[4-(6-fluoroquinolin-4-yl)oxy-2-methoxyphenyl]acetamide
CID 24759202
N-(4,5-dimethyl-1,2-oxazol-3-yl)-2-[4-(6-fluoroquinolin-4-yl)oxy-2-methoxyphenyl]propanamide
CID 67304059
3-[2-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]acetyl]-5-(4-fluorophenyl)-1-methylpyridin-4-one
CID 159384472
trans-(1S,2R)-1-N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-2-fluoro-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 162648053
3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methoxyphenyl]-1-(4-fluorophenyl)-1-methylurea
CID 139799425
1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methoxyphenyl]-3-(4-fluorophenyl)urea
CID 69321364
4-(6,7-dimethoxyquinolin-4-yl)oxybenzoic acid
CID 22132796
1-(2,4-difluorophenyl)-5-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-methoxypentane-2,4-dione
CID 58249497
2-[3-(6-bromoquinolin-4-yl)oxy-5-methoxyphenyl]acetamide
CID 175975800
N-(2,4-difluorophenyl)-N'-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-2-methoxypropanediamide
CID 22935461
1-[4-[4-[2-[1-[2-(4-fluorophenyl)acetyl]cyclopropyl]-2-oxoethyl]phenoxy]-6-methoxyquinolin-7-yl]propan-1-one
CID 159295377
1-(4-fluorophenyl)-3-[4-[6-(methanesulfonamido)-7-methoxyquinolin-4-yl]oxyphenyl]urea
CID 58931501

Frequently Asked Questions

What is the IUPAC name of 2-[5-(6-fluoroquinolin-4-yl)oxy-3-methoxy-2-pyridinyl]-2-(1H-pyrazol-4-yl)acetamide?
The IUPAC name of 2-[5-(6-fluoroquinolin-4-yl)oxy-3-methoxy-2-pyridinyl]-2-(1H-pyrazol-4-yl)acetamide (CID 69277347) is 2-[5-(6-fluoroquinolin-4-yl)oxy-3-methoxy-2-pyridinyl]-2-(1H-pyrazol-4-yl)acetamide.
What is the SMILES notation for 2-[5-(6-fluoroquinolin-4-yl)oxy-3-methoxy-2-pyridinyl]-2-(1H-pyrazol-4-yl)acetamide?
The canonical SMILES for 2-[5-(6-fluoroquinolin-4-yl)oxy-3-methoxy-2-pyridinyl]-2-(1H-pyrazol-4-yl)acetamide is COc1cc(Oc2ccnc3ccc(F)cc23)cnc1C(C(N)=O)c1cn[nH]c1.
What is the InChIKey of 2-[5-(6-fluoroquinolin-4-yl)oxy-3-methoxy-2-pyridinyl]-2-(1H-pyrazol-4-yl)acetamide?
The InChIKey is OFWMHMFOBZQNOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN5O3/c1-28-17-7-13(10-24-19(17)18(20(22)27)11-8-25-26-9-11)29-16-4-5-23-15-3-2-12(21)6-14(15)16/h2-10,18H,1H3,(H2,22,27)(H,25,26).
What are the key properties of 2-[5-(6-fluoroquinolin-4-yl)oxy-3-methoxy-2-pyridinyl]-2-(1H-pyrazol-4-yl)acetamide?
2-[5-(6-fluoroquinolin-4-yl)oxy-3-methoxy-2-pyridinyl]-2-(1H-pyrazol-4-yl)acetamide has a molecular weight of 393.38 g/mol, XLogP of 2.91, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(6-fluoroquinolin-4-yl)oxy-3-methoxy-2-pyridinyl]-2-(1H-pyrazol-4-yl)acetamide is sourced from PubChem (CID 69277347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).