2-(1-cyclopropyl-2-methoxyethyl)-5-[[6-(difluoromethoxy)-2,5-dimethyl-3-pyridinyl]amino]-6-oxo-1H-pyrazine-3-carbonitrile

C19H21F2N5O3 — CID 67076167

IUPAC2-(1-cyclopropyl-2-methoxyethyl)-5-[[6-(difluoromethoxy)-2,5-dimethyl-3-pyridinyl]amino]-6-oxo-1H-pyrazine-3-carbonitrile
SMILESCOCC(c1[nH]c(=O)c(Nc2cc(C)c(OC(F)F)nc2C)nc1C#N)C1CC1
InChIInChI=1S/C19H21F2N5O3/c1-9-6-13(10(2)23-18(9)29-19(20)21)24-16-17(27)26-15(14(7-22)25-16)12(8-28-3)11-4-5-11/h6,11-12,19H,4-5,8H2,1-3H3,(H,24,25)(H,26,27)
InChIKeyGJAWKTSFXKRLLA-UHFFFAOYSA-N
MW405.41 g/mol
LogP3.14
Rot. Bonds8

About 2-(1-cyclopropyl-2-methoxyethyl)-5-[[6-(difluoromethoxy)-2,5-dimethyl-3-pyridinyl]amino]-6-oxo-1H-pyrazine-3-carbonitrile

2-(1-cyclopropyl-2-methoxyethyl)-5-[[6-(difluoromethoxy)-2,5-dimethyl-3-pyridinyl]amino]-6-oxo-1H-pyrazine-3-carbonitrile (PubChem CID 67076167) has the molecular formula C19H21F2N5O3 and a molecular weight of 405.41 g/mol. Its IUPAC name is 2-(1-cyclopropyl-2-methoxyethyl)-5-[[6-(difluoromethoxy)-2,5-dimethyl-3-pyridinyl]amino]-6-oxo-1H-pyrazine-3-carbonitrile.

Molecular Properties

Compound Name2-(1-cyclopropyl-2-methoxyethyl)-5-[[6-(difluoromethoxy)-2,5-dimethyl-3-pyridinyl]amino]-6-oxo-1H-pyrazine-3-carbonitrile
PubChem CID67076167
Molecular FormulaC19H21F2N5O3
Molecular Weight405.41 g/mol
Exact Mass405.16
IUPAC Name2-(1-cyclopropyl-2-methoxyethyl)-5-[[6-(difluoromethoxy)-2,5-dimethyl-3-pyridinyl]amino]-6-oxo-1H-pyrazine-3-carbonitrile
SMILESCOCC(c1[nH]c(=O)c(Nc2cc(C)c(OC(F)F)nc2C)nc1C#N)C1CC1
InChIInChI=1S/C19H21F2N5O3/c1-9-6-13(10(2)23-18(9)29-19(20)21)24-16-17(27)26-15(14(7-22)25-16)12(8-28-3)11-4-5-11/h6,11-12,19H,4-5,8H2,1-3H3,(H,24,25)(H,26,27)
InChIKeyGJAWKTSFXKRLLA-UHFFFAOYSA-N
XLogP3.14
TPSA112.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.41
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-[(1S)-1-cyclopropyl-2-methoxyethyl]-3-[[6-(difluoromethoxy)-2,5-dimethyl-3-pyridinyl]amino]pyrazin-2-one
CID 67076089
5-bromo-1-(2-cyclopropyl-2-methoxyethyl)-3-[[6-(difluoromethoxy)-2,5-dimethyl-3-pyridinyl]amino]pyrazin-2-one
CID 67102289
5-[[6-chloro-4-[(1R)-1-cyclopropylethyl]-3-oxopyrazin-2-yl]amino]-2-(difluoromethoxy)-6-methylpyridine-3-carbonitrile
CID 45483573
5-bromo-1-[(1R)-1-cyclopropylpropyl]-3-[[6-(difluoromethoxy)-2,5-dimethyl-3-pyridinyl]amino]pyrazin-2-one;4-[(1R)-1-cyclopropylpropyl]-6-[[6-(difluoromethoxy)-2,5-dimethyl-3-pyridinyl]amino]-5-oxopyrazine-2-carbonitrile;3,5-dibromo-1-[(1R)-1-cyclopropylpropyl]pyrazin-2-one;6-(difluoromethoxy)-2,5-dimethylpyridin-3-amine;oxolane
CID 159453881
4-[(1R)-1-cyclopropylpropyl]-6-[(6-methoxy-2,5-dimethyl-3-pyridinyl)amino]-5-oxopyrazine-2-carbonitrile
CID 44596701
2-[[6-(difluoromethoxy)-2,5-dimethyl-3-pyridinyl]amino]-1-[(3,5-difluoro-4-methylphenyl)methyl]-5-fluoropyrimidin-4-one
CID 134464282
[(2R)-2-[5-chloro-3-[(6-methoxy-2,5-dimethyl-3-pyridinyl)amino]-2-oxopyrazin-1-yl]-2-cyclopropylethyl] N-butylcarbamate
CID 67160352
methyl 4-cyano-5-(difluoromethyl)-6-methylpyridine-2-carboxylate
CID 134661234
1-(1-cyclopropyl-2-methoxyethyl)-3,5-dimethylpyrazin-2-one
CID 91163543
methyl 2-cyano-5-(difluoromethyl)-6-methylpyridine-3-carboxylate
CID 133107579
2-(difluoromethoxy)-5-methylpyridine-3-carbonitrile
CID 131192874
[2-[3-chloro-5-[(6-methoxy-2,5-dimethyl-3-pyridinyl)amino]-6-oxo-2,3-dihydropyrazin-1-yl]-2-cyclopropylethyl] N-(2-chlorophenyl)carbamate
CID 90792585

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopropyl-2-methoxyethyl)-5-[[6-(difluoromethoxy)-2,5-dimethyl-3-pyridinyl]amino]-6-oxo-1H-pyrazine-3-carbonitrile?
The IUPAC name of 2-(1-cyclopropyl-2-methoxyethyl)-5-[[6-(difluoromethoxy)-2,5-dimethyl-3-pyridinyl]amino]-6-oxo-1H-pyrazine-3-carbonitrile (CID 67076167) is 2-(1-cyclopropyl-2-methoxyethyl)-5-[[6-(difluoromethoxy)-2,5-dimethyl-3-pyridinyl]amino]-6-oxo-1H-pyrazine-3-carbonitrile.
What is the SMILES notation for 2-(1-cyclopropyl-2-methoxyethyl)-5-[[6-(difluoromethoxy)-2,5-dimethyl-3-pyridinyl]amino]-6-oxo-1H-pyrazine-3-carbonitrile?
The canonical SMILES for 2-(1-cyclopropyl-2-methoxyethyl)-5-[[6-(difluoromethoxy)-2,5-dimethyl-3-pyridinyl]amino]-6-oxo-1H-pyrazine-3-carbonitrile is COCC(c1[nH]c(=O)c(Nc2cc(C)c(OC(F)F)nc2C)nc1C#N)C1CC1.
What is the InChIKey of 2-(1-cyclopropyl-2-methoxyethyl)-5-[[6-(difluoromethoxy)-2,5-dimethyl-3-pyridinyl]amino]-6-oxo-1H-pyrazine-3-carbonitrile?
The InChIKey is GJAWKTSFXKRLLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2N5O3/c1-9-6-13(10(2)23-18(9)29-19(20)21)24-16-17(27)26-15(14(7-22)25-16)12(8-28-3)11-4-5-11/h6,11-12,19H,4-5,8H2,1-3H3,(H,24,25)(H,26,27).
What are the key properties of 2-(1-cyclopropyl-2-methoxyethyl)-5-[[6-(difluoromethoxy)-2,5-dimethyl-3-pyridinyl]amino]-6-oxo-1H-pyrazine-3-carbonitrile?
2-(1-cyclopropyl-2-methoxyethyl)-5-[[6-(difluoromethoxy)-2,5-dimethyl-3-pyridinyl]amino]-6-oxo-1H-pyrazine-3-carbonitrile has a molecular weight of 405.41 g/mol, XLogP of 3.14, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopropyl-2-methoxyethyl)-5-[[6-(difluoromethoxy)-2,5-dimethyl-3-pyridinyl]amino]-6-oxo-1H-pyrazine-3-carbonitrile is sourced from PubChem (CID 67076167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).