3-amino-N-[(2,6-difluorophenyl)methyl]-6-[1-(oxetan-3-yl)-6-oxo-3-pyridinyl]-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide

C24H20F2N6O3 — CID 155678684

IUPAC3-amino-N-[(2,6-difluorophenyl)methyl]-6-[1-(oxetan-3-yl)-6-oxo-3-pyridinyl]-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide
SMILESNc1nc(-c2ccc[nH]2)c(-c2ccc(=O)n(C3COC3)c2)nc1C(=O)NCc1c(F)cccc1F
InChIInChI=1S/C24H20F2N6O3/c25-16-3-1-4-17(26)15(16)9-29-24(34)22-23(27)31-21(18-5-2-8-28-18)20(30-22)13-6-7-19(33)32(10-13)14-11-35-12-14/h1-8,10,14,28H,9,11-12H2,(H2,27,31)(H,29,34)
InChIKeySKVPZIWZHLTRDH-UHFFFAOYSA-N
MW478.46 g/mol
LogP2.66
Rot. Bonds6

About 3-amino-N-[(2,6-difluorophenyl)methyl]-6-[1-(oxetan-3-yl)-6-oxo-3-pyridinyl]-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide

3-amino-N-[(2,6-difluorophenyl)methyl]-6-[1-(oxetan-3-yl)-6-oxo-3-pyridinyl]-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide (PubChem CID 155678684) has the molecular formula C24H20F2N6O3 and a molecular weight of 478.46 g/mol. Its IUPAC name is 3-amino-N-[(2,6-difluorophenyl)methyl]-6-[1-(oxetan-3-yl)-6-oxo-3-pyridinyl]-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(2,6-difluorophenyl)methyl]-6-[1-(oxetan-3-yl)-6-oxo-3-pyridinyl]-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide
PubChem CID155678684
Molecular FormulaC24H20F2N6O3
Molecular Weight478.46 g/mol
Exact Mass478.16
IUPAC Name3-amino-N-[(2,6-difluorophenyl)methyl]-6-[1-(oxetan-3-yl)-6-oxo-3-pyridinyl]-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide
SMILESNc1nc(-c2ccc[nH]2)c(-c2ccc(=O)n(C3COC3)c2)nc1C(=O)NCc1c(F)cccc1F
InChIInChI=1S/C24H20F2N6O3/c25-16-3-1-4-17(26)15(16)9-29-24(34)22-23(27)31-21(18-5-2-8-28-18)20(30-22)13-6-7-19(33)32(10-13)14-11-35-12-14/h1-8,10,14,28H,9,11-12H2,(H2,27,31)(H,29,34)
InChIKeySKVPZIWZHLTRDH-UHFFFAOYSA-N
XLogP2.66
TPSA127.92 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.46
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

3-amino-N-[(2,6-difluorophenyl)methyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide
CID 155678730
3-amino-N-[(2-fluoro-6-morpholin-4-ylphenyl)methyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide
CID 155678666
3-amino-6-chloro-N-[(2,6-difluorophenyl)methyl]-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide
CID 175083383
3-amino-N-[(2-dimethylphosphoryl-6-fluorophenyl)methyl]-6-imidazo[1,2-a]pyridin-6-yl-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide
CID 155678679
3-amino-6-(1-methyl-6-oxo-3-pyridinyl)-N-[(6-pyrrolidin-1-yl-2-pyridinyl)methyl]-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide
CID 155678705
3-amino-N-[(2,6-difluorophenyl)methyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(triazol-2-yl)pyrazine-2-carboxamide
CID 146380235
3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-N-[[(3S)-oxolan-3-yl]methyl]-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide
CID 155669203
3-amino-N-[(2,6-difluorophenyl)methyl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-morpholin-3-ylpyrazine-2-carboxamide
CID 175080500
3-amino-N-[[6-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-pyridinyl]methyl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide
CID 155678693
3-amino-N-[(3,3-dimethyloxetan-2-yl)methyl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide
CID 155678634
3-amino-N-[(1-methylpyrrolidin-2-yl)methyl]-5-(1H-pyrrol-2-yl)-6-[3-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrazine-2-carboxamide
CID 155678687
3-amino-N-[(2,6-difluorophenyl)methyl]-6-(2-methyl-4-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide
CID 155209351

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(2,6-difluorophenyl)methyl]-6-[1-(oxetan-3-yl)-6-oxo-3-pyridinyl]-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-[(2,6-difluorophenyl)methyl]-6-[1-(oxetan-3-yl)-6-oxo-3-pyridinyl]-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide (CID 155678684) is 3-amino-N-[(2,6-difluorophenyl)methyl]-6-[1-(oxetan-3-yl)-6-oxo-3-pyridinyl]-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[(2,6-difluorophenyl)methyl]-6-[1-(oxetan-3-yl)-6-oxo-3-pyridinyl]-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-[(2,6-difluorophenyl)methyl]-6-[1-(oxetan-3-yl)-6-oxo-3-pyridinyl]-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide is Nc1nc(-c2ccc[nH]2)c(-c2ccc(=O)n(C3COC3)c2)nc1C(=O)NCc1c(F)cccc1F.
What is the InChIKey of 3-amino-N-[(2,6-difluorophenyl)methyl]-6-[1-(oxetan-3-yl)-6-oxo-3-pyridinyl]-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide?
The InChIKey is SKVPZIWZHLTRDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F2N6O3/c25-16-3-1-4-17(26)15(16)9-29-24(34)22-23(27)31-21(18-5-2-8-28-18)20(30-22)13-6-7-19(33)32(10-13)14-11-35-12-14/h1-8,10,14,28H,9,11-12H2,(H2,27,31)(H,29,34).
What are the key properties of 3-amino-N-[(2,6-difluorophenyl)methyl]-6-[1-(oxetan-3-yl)-6-oxo-3-pyridinyl]-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide?
3-amino-N-[(2,6-difluorophenyl)methyl]-6-[1-(oxetan-3-yl)-6-oxo-3-pyridinyl]-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide has a molecular weight of 478.46 g/mol, XLogP of 2.66, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(2,6-difluorophenyl)methyl]-6-[1-(oxetan-3-yl)-6-oxo-3-pyridinyl]-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 155678684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).