N-[3-(1-amino-3-methyl-4H-2,6-naphthyridin-3-yl)-4-fluorophenyl]-5-but-2-ynoxypyrazine-2-carboxamide

C24H21FN6O2 — CID 56969155

IUPACN-[3-(1-amino-3-methyl-4H-2,6-naphthyridin-3-yl)-4-fluorophenyl]-5-but-2-ynoxypyrazine-2-carboxamide
SMILESCC#CCOc1cnc(C(=O)Nc2ccc(F)c(C3(C)Cc4cnccc4C(N)=N3)c2)cn1
InChIInChI=1S/C24H21FN6O2/c1-3-4-9-33-21-14-28-20(13-29-21)23(32)30-16-5-6-19(25)18(10-16)24(2)11-15-12-27-8-7-17(15)22(26)31-24/h5-8,10,12-14H,9,11H2,1-2H3,(H2,26,31)(H,30,32)
InChIKeyIHXFTJKODNQFHV-UHFFFAOYSA-N
MW444.47 g/mol
LogP2.84
Rot. Bonds5

About N-[3-(1-amino-3-methyl-4H-2,6-naphthyridin-3-yl)-4-fluorophenyl]-5-but-2-ynoxypyrazine-2-carboxamide

N-[3-(1-amino-3-methyl-4H-2,6-naphthyridin-3-yl)-4-fluorophenyl]-5-but-2-ynoxypyrazine-2-carboxamide (PubChem CID 56969155) has the molecular formula C24H21FN6O2 and a molecular weight of 444.47 g/mol. Its IUPAC name is N-[3-(1-amino-3-methyl-4H-2,6-naphthyridin-3-yl)-4-fluorophenyl]-5-but-2-ynoxypyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(1-amino-3-methyl-4H-2,6-naphthyridin-3-yl)-4-fluorophenyl]-5-but-2-ynoxypyrazine-2-carboxamide
PubChem CID56969155
Molecular FormulaC24H21FN6O2
Molecular Weight444.47 g/mol
Exact Mass444.17
IUPAC NameN-[3-(1-amino-3-methyl-4H-2,6-naphthyridin-3-yl)-4-fluorophenyl]-5-but-2-ynoxypyrazine-2-carboxamide
SMILESCC#CCOc1cnc(C(=O)Nc2ccc(F)c(C3(C)Cc4cnccc4C(N)=N3)c2)cn1
InChIInChI=1S/C24H21FN6O2/c1-3-4-9-33-21-14-28-20(13-29-21)23(32)30-16-5-6-19(25)18(10-16)24(2)11-15-12-27-8-7-17(15)22(26)31-24/h5-8,10,12-14H,9,11H2,1-2H3,(H2,26,31)(H,30,32)
InChIKeyIHXFTJKODNQFHV-UHFFFAOYSA-N
XLogP2.84
TPSA115.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.47
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-[3-(1-amino-3-methyl-4H-2,7-naphthyridin-3-yl)-4-fluorophenyl]-1-(5-but-2-ynoxypyrazin-2-yl)ethanone
CID 157095064
N-[3-[2-amino-5-fluoro-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-5-but-2-ynoxypyrazine-2-carboxamide
CID 123794138
N-[3-(8-amino-6-methyl-5H-imidazo[1,5-a]pyrazin-6-yl)-4-fluorophenyl]-5-methoxypyrazine-2-carboxamide
CID 123618518
N-[3-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-4-fluorophenyl]-5-(3-tributylstannylprop-2-ynoxy)pyrazine-2-carboxamide
CID 90100500
N-[3-(2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl)-4-fluorophenyl]-5-(3-tributylstannylprop-2-ynoxy)pyrazine-2-carboxamide
CID 90100501
N-[3-[(2S)-6-amino-2,5,5-trimethyl-3,4-dihydropyridin-2-yl]-4-fluorophenyl]-5-methoxypyrazine-2-carboxamide
CID 140946078
1-[3-(1-amino-3-methyl-4H-2,6-naphthyridin-3-yl)-4-fluorophenyl]hept-3-yn-2-one
CID 158316811
N-[3-[(7S)-5-amino-2,7-dimethyl-8H-pyrido[4,3-d]pyrimidin-7-yl]-4-fluorophenyl]-5-methoxypyridine-2-carboxamide
CID 118974572
N-[3-[(5R,6S)-3-amino-5-(fluoromethyl)-2-oxa-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4,5-difluorophenyl]-5-but-2-ynoxypyrazine-2-carboxamide
CID 122581894
N-[3-(6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl)-4-fluorophenyl]-5-(2-fluoroethoxy)pyrazine-2-carboxamide
CID 123805645
N-[3-[(3R)-5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-5-methoxypyrazine-2-carboxamide
CID 122195837
N-[3-(2-amino-4a-methyl-5,7-dihydro-4H-furo[3,4-d][1,3]oxazin-7a-yl)-4-fluorophenyl]-5-ethoxypyrazine-2-carboxamide
CID 123520039

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-amino-3-methyl-4H-2,6-naphthyridin-3-yl)-4-fluorophenyl]-5-but-2-ynoxypyrazine-2-carboxamide?
The IUPAC name of N-[3-(1-amino-3-methyl-4H-2,6-naphthyridin-3-yl)-4-fluorophenyl]-5-but-2-ynoxypyrazine-2-carboxamide (CID 56969155) is N-[3-(1-amino-3-methyl-4H-2,6-naphthyridin-3-yl)-4-fluorophenyl]-5-but-2-ynoxypyrazine-2-carboxamide.
What is the SMILES notation for N-[3-(1-amino-3-methyl-4H-2,6-naphthyridin-3-yl)-4-fluorophenyl]-5-but-2-ynoxypyrazine-2-carboxamide?
The canonical SMILES for N-[3-(1-amino-3-methyl-4H-2,6-naphthyridin-3-yl)-4-fluorophenyl]-5-but-2-ynoxypyrazine-2-carboxamide is CC#CCOc1cnc(C(=O)Nc2ccc(F)c(C3(C)Cc4cnccc4C(N)=N3)c2)cn1.
What is the InChIKey of N-[3-(1-amino-3-methyl-4H-2,6-naphthyridin-3-yl)-4-fluorophenyl]-5-but-2-ynoxypyrazine-2-carboxamide?
The InChIKey is IHXFTJKODNQFHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN6O2/c1-3-4-9-33-21-14-28-20(13-29-21)23(32)30-16-5-6-19(25)18(10-16)24(2)11-15-12-27-8-7-17(15)22(26)31-24/h5-8,10,12-14H,9,11H2,1-2H3,(H2,26,31)(H,30,32).
What are the key properties of N-[3-(1-amino-3-methyl-4H-2,6-naphthyridin-3-yl)-4-fluorophenyl]-5-but-2-ynoxypyrazine-2-carboxamide?
N-[3-(1-amino-3-methyl-4H-2,6-naphthyridin-3-yl)-4-fluorophenyl]-5-but-2-ynoxypyrazine-2-carboxamide has a molecular weight of 444.47 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-amino-3-methyl-4H-2,6-naphthyridin-3-yl)-4-fluorophenyl]-5-but-2-ynoxypyrazine-2-carboxamide is sourced from PubChem (CID 56969155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).