N-(5-ethyl-1H-pyrazol-3-yl)-2-[4-[(7-methoxy-1,6-naphthyridin-4-yl)oxy]phenyl]acetamide

C22H21N5O3 — CID 24825986

IUPACN-(5-ethyl-1H-pyrazol-3-yl)-2-[4-[(7-methoxy-1,6-naphthyridin-4-yl)oxy]phenyl]acetamide
SMILESCCc1cc(NC(=O)Cc2ccc(Oc3ccnc4cc(OC)ncc34)cc2)n[nH]1
InChIInChI=1S/C22H21N5O3/c1-3-15-11-20(27-26-15)25-21(28)10-14-4-6-16(7-5-14)30-19-8-9-23-18-12-22(29-2)24-13-17(18)19/h4-9,11-13H,3,10H2,1-2H3,(H2,25,26,27,28)
InChIKeyXWBKDAFHSHLTFU-UHFFFAOYSA-N
MW403.44 g/mol
LogP3.90
Rot. Bonds7

About N-(5-ethyl-1H-pyrazol-3-yl)-2-[4-[(7-methoxy-1,6-naphthyridin-4-yl)oxy]phenyl]acetamide

N-(5-ethyl-1H-pyrazol-3-yl)-2-[4-[(7-methoxy-1,6-naphthyridin-4-yl)oxy]phenyl]acetamide (PubChem CID 24825986) has the molecular formula C22H21N5O3 and a molecular weight of 403.44 g/mol. Its IUPAC name is N-(5-ethyl-1H-pyrazol-3-yl)-2-[4-[(7-methoxy-1,6-naphthyridin-4-yl)oxy]phenyl]acetamide.

Molecular Properties

Compound NameN-(5-ethyl-1H-pyrazol-3-yl)-2-[4-[(7-methoxy-1,6-naphthyridin-4-yl)oxy]phenyl]acetamide
PubChem CID24825986
Molecular FormulaC22H21N5O3
Molecular Weight403.44 g/mol
Exact Mass403.16
IUPAC NameN-(5-ethyl-1H-pyrazol-3-yl)-2-[4-[(7-methoxy-1,6-naphthyridin-4-yl)oxy]phenyl]acetamide
SMILESCCc1cc(NC(=O)Cc2ccc(Oc3ccnc4cc(OC)ncc34)cc2)n[nH]1
InChIInChI=1S/C22H21N5O3/c1-3-15-11-20(27-26-15)25-21(28)10-14-4-6-16(7-5-14)30-19-8-9-23-18-12-22(29-2)24-13-17(18)19/h4-9,11-13H,3,10H2,1-2H3,(H2,25,26,27,28)
InChIKeyXWBKDAFHSHLTFU-UHFFFAOYSA-N
XLogP3.90
TPSA102.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-ethyl-1,2-oxazol-3-yl)-2-[4-[(7-methoxy-1,6-naphthyridin-4-yl)oxy]phenyl]acetamide
CID 24826071
2-[4-[(7-methoxy-1,6-naphthyridin-4-yl)oxy]phenyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 87862442
N-(5-ethyl-1,2-oxazol-3-yl)-2-[2-methoxy-4-[(7-methoxy-1,6-naphthyridin-4-yl)oxy]phenyl]acetamide
CID 24826072
2-[4-[(6-methoxy-1,7-naphthyridin-4-yl)oxy]phenyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 87866854
N-(5-ethyl-1H-pyrazol-3-yl)-2-(3-methoxyphenyl)acetamide
CID 47423285
2-(3,4-dimethoxyphenyl)-N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]acetamide
CID 152648895
1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-5-(4-methylphenyl)pentane-2,4-dione
CID 58249515
2-[4-(7-methoxyquinolin-4-yl)oxyphenyl]acetic acid
CID 18456647
2-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methoxyphenyl]-N-(4-ethyl-1H-pyrazol-5-yl)acetamide
CID 24759093
3-(2,5-dimethoxyphenyl)-N-(5-ethyl-1H-pyrazol-3-yl)propanamide
CID 47079617
2-(3,4-difluorophenyl)-N-(5-ethyl-1H-pyrazol-3-yl)acetamide
CID 112698162
N-(5-ethyl-1H-pyrazol-3-yl)-2-(1H-pyrazol-5-yl)acetamide
CID 115663310

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1H-pyrazol-3-yl)-2-[4-[(7-methoxy-1,6-naphthyridin-4-yl)oxy]phenyl]acetamide?
The IUPAC name of N-(5-ethyl-1H-pyrazol-3-yl)-2-[4-[(7-methoxy-1,6-naphthyridin-4-yl)oxy]phenyl]acetamide (CID 24825986) is N-(5-ethyl-1H-pyrazol-3-yl)-2-[4-[(7-methoxy-1,6-naphthyridin-4-yl)oxy]phenyl]acetamide.
What is the SMILES notation for N-(5-ethyl-1H-pyrazol-3-yl)-2-[4-[(7-methoxy-1,6-naphthyridin-4-yl)oxy]phenyl]acetamide?
The canonical SMILES for N-(5-ethyl-1H-pyrazol-3-yl)-2-[4-[(7-methoxy-1,6-naphthyridin-4-yl)oxy]phenyl]acetamide is CCc1cc(NC(=O)Cc2ccc(Oc3ccnc4cc(OC)ncc34)cc2)n[nH]1.
What is the InChIKey of N-(5-ethyl-1H-pyrazol-3-yl)-2-[4-[(7-methoxy-1,6-naphthyridin-4-yl)oxy]phenyl]acetamide?
The InChIKey is XWBKDAFHSHLTFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O3/c1-3-15-11-20(27-26-15)25-21(28)10-14-4-6-16(7-5-14)30-19-8-9-23-18-12-22(29-2)24-13-17(18)19/h4-9,11-13H,3,10H2,1-2H3,(H2,25,26,27,28).
What are the key properties of N-(5-ethyl-1H-pyrazol-3-yl)-2-[4-[(7-methoxy-1,6-naphthyridin-4-yl)oxy]phenyl]acetamide?
N-(5-ethyl-1H-pyrazol-3-yl)-2-[4-[(7-methoxy-1,6-naphthyridin-4-yl)oxy]phenyl]acetamide has a molecular weight of 403.44 g/mol, XLogP of 3.90, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1H-pyrazol-3-yl)-2-[4-[(7-methoxy-1,6-naphthyridin-4-yl)oxy]phenyl]acetamide is sourced from PubChem (CID 24825986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).