2-[3-[[(2-amino-3-pyridinyl)amino]methyl]-4-fluorophenyl]-1-[5-(furan-2-yl)pyrazin-2-yl]ethanone

C22H18FN5O2 — CID 58448529

IUPAC2-[3-[[(2-amino-3-pyridinyl)amino]methyl]-4-fluorophenyl]-1-[5-(furan-2-yl)pyrazin-2-yl]ethanone
SMILESNc1ncccc1NCc1cc(CC(=O)c2cnc(-c3ccco3)cn2)ccc1F
InChIInChI=1S/C22H18FN5O2/c23-16-6-5-14(9-15(16)11-26-17-3-1-7-25-22(17)24)10-20(29)18-12-28-19(13-27-18)21-4-2-8-30-21/h1-9,12-13,26H,10-11H2,(H2,24,25)
InChIKeyKYDNUAVCBFWPMM-UHFFFAOYSA-N
MW403.42 g/mol
LogP3.89
Rot. Bonds7

About 2-[3-[[(2-amino-3-pyridinyl)amino]methyl]-4-fluorophenyl]-1-[5-(furan-2-yl)pyrazin-2-yl]ethanone

2-[3-[[(2-amino-3-pyridinyl)amino]methyl]-4-fluorophenyl]-1-[5-(furan-2-yl)pyrazin-2-yl]ethanone (PubChem CID 58448529) has the molecular formula C22H18FN5O2 and a molecular weight of 403.42 g/mol. Its IUPAC name is 2-[3-[[(2-amino-3-pyridinyl)amino]methyl]-4-fluorophenyl]-1-[5-(furan-2-yl)pyrazin-2-yl]ethanone.

Molecular Properties

Compound Name2-[3-[[(2-amino-3-pyridinyl)amino]methyl]-4-fluorophenyl]-1-[5-(furan-2-yl)pyrazin-2-yl]ethanone
PubChem CID58448529
Molecular FormulaC22H18FN5O2
Molecular Weight403.42 g/mol
Exact Mass403.14
IUPAC Name2-[3-[[(2-amino-3-pyridinyl)amino]methyl]-4-fluorophenyl]-1-[5-(furan-2-yl)pyrazin-2-yl]ethanone
SMILESNc1ncccc1NCc1cc(CC(=O)c2cnc(-c3ccco3)cn2)ccc1F
InChIInChI=1S/C22H18FN5O2/c23-16-6-5-14(9-15(16)11-26-17-3-1-7-25-22(17)24)10-20(29)18-12-28-19(13-27-18)21-4-2-8-30-21/h1-9,12-13,26H,10-11H2,(H2,24,25)
InChIKeyKYDNUAVCBFWPMM-UHFFFAOYSA-N
XLogP3.89
TPSA106.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.42
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[3-[[(2-amino-3-pyridinyl)amino]methyl]-4-fluorophenyl]-1-[5-(furan-2-yl)pyrazin-2-yl]ethanone with MolForge

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Related Compounds

Las-38096
CID 11716665
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CID 46880333
3-amino-N-[4-(2-amino-6-methoxy-4-pyridinyl)-3-pyridinyl]-6-(2,6-difluorophenyl)pyridine-2-carboxamide
CID 68184638
2-(furan-2-yl)-8-methyl-N-(2-methylphenyl)imidazo(1,2-a)pyridin-3-amine
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CID 44520940
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CID 46866591
N-[5-(3-fluoro-4-pyridinyl)-6-(furan-2-yl)-2-pyridinyl]cyclopropanecarboxamide
CID 46866593
N-[5-(furan-2-yl)-2-pyridinyl]-2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)acetamide
CID 134144011
4'-(2-furyl)-N-pyrazin-2-yl-4,5'-bipyrimidin-2'-amine
CID 11565927
4'-(2-furyl)-N-(6-methoxypyridin-3-yl)-4,5'-bipyrimidin-2'-amine
CID 11638790
4''-(2-furyl)-N-pyrimidin-5-yl-4,5''-bipyrimidin-2''-amine
CID 11659696

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[(2-amino-3-pyridinyl)amino]methyl]-4-fluorophenyl]-1-[5-(furan-2-yl)pyrazin-2-yl]ethanone?
The IUPAC name of 2-[3-[[(2-amino-3-pyridinyl)amino]methyl]-4-fluorophenyl]-1-[5-(furan-2-yl)pyrazin-2-yl]ethanone (CID 58448529) is 2-[3-[[(2-amino-3-pyridinyl)amino]methyl]-4-fluorophenyl]-1-[5-(furan-2-yl)pyrazin-2-yl]ethanone.
What is the SMILES notation for 2-[3-[[(2-amino-3-pyridinyl)amino]methyl]-4-fluorophenyl]-1-[5-(furan-2-yl)pyrazin-2-yl]ethanone?
The canonical SMILES for 2-[3-[[(2-amino-3-pyridinyl)amino]methyl]-4-fluorophenyl]-1-[5-(furan-2-yl)pyrazin-2-yl]ethanone is Nc1ncccc1NCc1cc(CC(=O)c2cnc(-c3ccco3)cn2)ccc1F.
What is the InChIKey of 2-[3-[[(2-amino-3-pyridinyl)amino]methyl]-4-fluorophenyl]-1-[5-(furan-2-yl)pyrazin-2-yl]ethanone?
The InChIKey is KYDNUAVCBFWPMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN5O2/c23-16-6-5-14(9-15(16)11-26-17-3-1-7-25-22(17)24)10-20(29)18-12-28-19(13-27-18)21-4-2-8-30-21/h1-9,12-13,26H,10-11H2,(H2,24,25).
What are the key properties of 2-[3-[[(2-amino-3-pyridinyl)amino]methyl]-4-fluorophenyl]-1-[5-(furan-2-yl)pyrazin-2-yl]ethanone?
2-[3-[[(2-amino-3-pyridinyl)amino]methyl]-4-fluorophenyl]-1-[5-(furan-2-yl)pyrazin-2-yl]ethanone has a molecular weight of 403.42 g/mol, XLogP of 3.89, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[(2-amino-3-pyridinyl)amino]methyl]-4-fluorophenyl]-1-[5-(furan-2-yl)pyrazin-2-yl]ethanone is sourced from PubChem (CID 58448529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).