N-[3-[[5-(3-amino-3a,7a-dihydro-1H-indazol-6-yl)-2-oxo-1-pyridinyl]methyl]-4-fluorophenyl]acetamide

C21H20FN5O2 — CID 129066430

IUPACN-[3-[[5-(3-amino-3a,7a-dihydro-1H-indazol-6-yl)-2-oxo-1-pyridinyl]methyl]-4-fluorophenyl]acetamide
SMILESCC(=O)Nc1ccc(F)c(Cn2cc(C3=CC4NN=C(N)C4C=C3)ccc2=O)c1
InChIInChI=1S/C21H20FN5O2/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/h2-10,17,19,25H,11H2,1H3,(H2,23,26)(H,24,28)
InChIKeyDLEWFILVFWJGRG-UHFFFAOYSA-N
MW393.42 g/mol
LogP1.81
Rot. Bonds4

About N-[3-[[5-(3-amino-3a,7a-dihydro-1H-indazol-6-yl)-2-oxo-1-pyridinyl]methyl]-4-fluorophenyl]acetamide

N-[3-[[5-(3-amino-3a,7a-dihydro-1H-indazol-6-yl)-2-oxo-1-pyridinyl]methyl]-4-fluorophenyl]acetamide (PubChem CID 129066430) has the molecular formula C21H20FN5O2 and a molecular weight of 393.42 g/mol. Its IUPAC name is N-[3-[[5-(3-amino-3a,7a-dihydro-1H-indazol-6-yl)-2-oxo-1-pyridinyl]methyl]-4-fluorophenyl]acetamide.

Molecular Properties

Compound NameN-[3-[[5-(3-amino-3a,7a-dihydro-1H-indazol-6-yl)-2-oxo-1-pyridinyl]methyl]-4-fluorophenyl]acetamide
PubChem CID129066430
Molecular FormulaC21H20FN5O2
Molecular Weight393.42 g/mol
Exact Mass393.16
IUPAC NameN-[3-[[5-(3-amino-3a,7a-dihydro-1H-indazol-6-yl)-2-oxo-1-pyridinyl]methyl]-4-fluorophenyl]acetamide
SMILESCC(=O)Nc1ccc(F)c(Cn2cc(C3=CC4NN=C(N)C4C=C3)ccc2=O)c1
InChIInChI=1S/C21H20FN5O2/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/h2-10,17,19,25H,11H2,1H3,(H2,23,26)(H,24,28)
InChIKeyDLEWFILVFWJGRG-UHFFFAOYSA-N
XLogP1.81
TPSA101.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.42
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[3-[[5-(3-amino-3a,7a-dihydro-1H-indazol-6-yl)-2-oxo-1-pyridinyl]methyl]-4-fluorophenyl]acetamide with MolForge

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Related Compounds

N-[4-fluoro-3-[[2-oxo-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-pyridinyl]methyl]phenyl]acetamide
CID 140931457
N-[3-(aminomethyl)-4-fluorophenyl]acetamide
CID 62317128
N-[3-[[5-(1H-indazol-6-yl)-2-oxo-1-pyridinyl]methyl]phenyl]acetamide
CID 129052064
2-(5-amino-2-oxo-1-pyridinyl)-N-(4-fluoro-3-methylphenyl)acetamide
CID 62811036
5-bromo-1-[(5-bromo-2-fluorophenyl)methyl]pyridin-2-one
CID 47214230
1-[(2-fluorophenyl)methyl]-N-[4-fluoro-3-(trifluoromethyl)phenyl]-6-oxopyridine-3-carboxamide
CID 26844062
1-[(2,4-dichlorophenyl)methyl]-N-(3-fluoro-4-methylphenyl)-6-oxopyridine-3-carboxamide
CID 8697710
3-[(5-bromo-2-oxo-1-pyridinyl)methyl]-4-fluorobenzoic acid
CID 107452073
N-(4-fluoro-3-methylphenyl)-2-[5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-oxo-1-pyridinyl]acetamide
CID 53173921
N-(1-benzyl-6-oxo-3-pyridinyl)acetamide
CID 167759496
1-[(2,5-difluorophenyl)methyl]-5-iodopyridin-2-one
CID 79785122
bis[[4-[1-[(4-chloro-2-fluorophenyl)methyl]-6-oxo-3-pyridinyl]phenyl]methyl] carbonate
CID 91593705

Frequently Asked Questions

What is the IUPAC name of N-[3-[[5-(3-amino-3a,7a-dihydro-1H-indazol-6-yl)-2-oxo-1-pyridinyl]methyl]-4-fluorophenyl]acetamide?
The IUPAC name of N-[3-[[5-(3-amino-3a,7a-dihydro-1H-indazol-6-yl)-2-oxo-1-pyridinyl]methyl]-4-fluorophenyl]acetamide (CID 129066430) is N-[3-[[5-(3-amino-3a,7a-dihydro-1H-indazol-6-yl)-2-oxo-1-pyridinyl]methyl]-4-fluorophenyl]acetamide.
What is the SMILES notation for N-[3-[[5-(3-amino-3a,7a-dihydro-1H-indazol-6-yl)-2-oxo-1-pyridinyl]methyl]-4-fluorophenyl]acetamide?
The canonical SMILES for N-[3-[[5-(3-amino-3a,7a-dihydro-1H-indazol-6-yl)-2-oxo-1-pyridinyl]methyl]-4-fluorophenyl]acetamide is CC(=O)Nc1ccc(F)c(Cn2cc(C3=CC4NN=C(N)C4C=C3)ccc2=O)c1.
What is the InChIKey of N-[3-[[5-(3-amino-3a,7a-dihydro-1H-indazol-6-yl)-2-oxo-1-pyridinyl]methyl]-4-fluorophenyl]acetamide?
The InChIKey is DLEWFILVFWJGRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN5O2/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/h2-10,17,19,25H,11H2,1H3,(H2,23,26)(H,24,28).
What are the key properties of N-[3-[[5-(3-amino-3a,7a-dihydro-1H-indazol-6-yl)-2-oxo-1-pyridinyl]methyl]-4-fluorophenyl]acetamide?
N-[3-[[5-(3-amino-3a,7a-dihydro-1H-indazol-6-yl)-2-oxo-1-pyridinyl]methyl]-4-fluorophenyl]acetamide has a molecular weight of 393.42 g/mol, XLogP of 1.81, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[5-(3-amino-3a,7a-dihydro-1H-indazol-6-yl)-2-oxo-1-pyridinyl]methyl]-4-fluorophenyl]acetamide is sourced from PubChem (CID 129066430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).