N-[3-[[5-(3-amino-1H-indazol-6-yl)-2-oxo-1-pyridinyl]methyl]-4-fluorophenyl]acetamide

C21H18FN5O2 — CID 129052129

IUPACN-[3-[[5-(3-amino-1H-indazol-6-yl)-2-oxo-1-pyridinyl]methyl]-4-fluorophenyl]acetamide
SMILESCC(=O)Nc1ccc(F)c(Cn2cc(-c3ccc4c(N)n[nH]c4c3)ccc2=O)c1
InChIInChI=1S/C21H18FN5O2/c1-12(28)24-16-4-6-18(22)15(8-16)11-27-10-14(3-7-20(27)29)13-2-5-17-19(9-13)25-26-21(17)23/h2-10H,11H2,1H3,(H,24,28)(H3,23,25,26)
InChIKeyGZJFTQSDRZYEQK-UHFFFAOYSA-N
MW391.41 g/mol
LogP3.12
Rot. Bonds4

About N-[3-[[5-(3-amino-1H-indazol-6-yl)-2-oxo-1-pyridinyl]methyl]-4-fluorophenyl]acetamide

N-[3-[[5-(3-amino-1H-indazol-6-yl)-2-oxo-1-pyridinyl]methyl]-4-fluorophenyl]acetamide (PubChem CID 129052129) has the molecular formula C21H18FN5O2 and a molecular weight of 391.41 g/mol. Its IUPAC name is N-[3-[[5-(3-amino-1H-indazol-6-yl)-2-oxo-1-pyridinyl]methyl]-4-fluorophenyl]acetamide.

Molecular Properties

Compound NameN-[3-[[5-(3-amino-1H-indazol-6-yl)-2-oxo-1-pyridinyl]methyl]-4-fluorophenyl]acetamide
PubChem CID129052129
Molecular FormulaC21H18FN5O2
Molecular Weight391.41 g/mol
Exact Mass391.14
IUPAC NameN-[3-[[5-(3-amino-1H-indazol-6-yl)-2-oxo-1-pyridinyl]methyl]-4-fluorophenyl]acetamide
SMILESCC(=O)Nc1ccc(F)c(Cn2cc(-c3ccc4c(N)n[nH]c4c3)ccc2=O)c1
InChIInChI=1S/C21H18FN5O2/c1-12(28)24-16-4-6-18(22)15(8-16)11-27-10-14(3-7-20(27)29)13-2-5-17-19(9-13)25-26-21(17)23/h2-10H,11H2,1H3,(H,24,28)(H3,23,25,26)
InChIKeyGZJFTQSDRZYEQK-UHFFFAOYSA-N
XLogP3.12
TPSA105.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.41
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-[[5-(3-amino-1H-indazol-6-yl)-2-oxo-1-pyridinyl]methyl]-4-fluorophenyl]acetamide?
The IUPAC name of N-[3-[[5-(3-amino-1H-indazol-6-yl)-2-oxo-1-pyridinyl]methyl]-4-fluorophenyl]acetamide (CID 129052129) is N-[3-[[5-(3-amino-1H-indazol-6-yl)-2-oxo-1-pyridinyl]methyl]-4-fluorophenyl]acetamide.
What is the SMILES notation for N-[3-[[5-(3-amino-1H-indazol-6-yl)-2-oxo-1-pyridinyl]methyl]-4-fluorophenyl]acetamide?
The canonical SMILES for N-[3-[[5-(3-amino-1H-indazol-6-yl)-2-oxo-1-pyridinyl]methyl]-4-fluorophenyl]acetamide is CC(=O)Nc1ccc(F)c(Cn2cc(-c3ccc4c(N)n[nH]c4c3)ccc2=O)c1.
What is the InChIKey of N-[3-[[5-(3-amino-1H-indazol-6-yl)-2-oxo-1-pyridinyl]methyl]-4-fluorophenyl]acetamide?
The InChIKey is GZJFTQSDRZYEQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN5O2/c1-12(28)24-16-4-6-18(22)15(8-16)11-27-10-14(3-7-20(27)29)13-2-5-17-19(9-13)25-26-21(17)23/h2-10H,11H2,1H3,(H,24,28)(H3,23,25,26).
What are the key properties of N-[3-[[5-(3-amino-1H-indazol-6-yl)-2-oxo-1-pyridinyl]methyl]-4-fluorophenyl]acetamide?
N-[3-[[5-(3-amino-1H-indazol-6-yl)-2-oxo-1-pyridinyl]methyl]-4-fluorophenyl]acetamide has a molecular weight of 391.41 g/mol, XLogP of 3.12, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[5-(3-amino-1H-indazol-6-yl)-2-oxo-1-pyridinyl]methyl]-4-fluorophenyl]acetamide is sourced from PubChem (CID 129052129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).