3-amino-6-(2-amino-6-methyl-4-pyridinyl)-5-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide

C25H23FN6O2 — CID 155209362

IUPAC3-amino-6-(2-amino-6-methyl-4-pyridinyl)-5-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide
SMILESCOc1ccccc1CNC(=O)c1nc(-c2cc(C)nc(N)c2)c(-c2ccc(F)cc2)nc1N
InChIInChI=1S/C25H23FN6O2/c1-14-11-17(12-20(27)30-14)22-21(15-7-9-18(26)10-8-15)32-24(28)23(31-22)25(33)29-13-16-5-3-4-6-19(16)34-2/h3-12H,13H2,1-2H3,(H2,27,30)(H2,28,32)(H,29,33)
InChIKeyYVXMYZVXPXALPU-UHFFFAOYSA-N
MW458.50 g/mol
LogP3.76
Rot. Bonds6

About 3-amino-6-(2-amino-6-methyl-4-pyridinyl)-5-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide

3-amino-6-(2-amino-6-methyl-4-pyridinyl)-5-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide (PubChem CID 155209362) has the molecular formula C25H23FN6O2 and a molecular weight of 458.50 g/mol. Its IUPAC name is 3-amino-6-(2-amino-6-methyl-4-pyridinyl)-5-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-(2-amino-6-methyl-4-pyridinyl)-5-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide
PubChem CID155209362
Molecular FormulaC25H23FN6O2
Molecular Weight458.50 g/mol
Exact Mass458.19
IUPAC Name3-amino-6-(2-amino-6-methyl-4-pyridinyl)-5-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide
SMILESCOc1ccccc1CNC(=O)c1nc(-c2cc(C)nc(N)c2)c(-c2ccc(F)cc2)nc1N
InChIInChI=1S/C25H23FN6O2/c1-14-11-17(12-20(27)30-14)22-21(15-7-9-18(26)10-8-15)32-24(28)23(31-22)25(33)29-13-16-5-3-4-6-19(16)34-2/h3-12H,13H2,1-2H3,(H2,27,30)(H2,28,32)(H,29,33)
InChIKeyYVXMYZVXPXALPU-UHFFFAOYSA-N
XLogP3.76
TPSA129.04 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.50
LogP ≤ 53.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(2-amino-6-methyl-4-pyridinyl)-5-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide?
The IUPAC name of 3-amino-6-(2-amino-6-methyl-4-pyridinyl)-5-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide (CID 155209362) is 3-amino-6-(2-amino-6-methyl-4-pyridinyl)-5-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-6-(2-amino-6-methyl-4-pyridinyl)-5-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-6-(2-amino-6-methyl-4-pyridinyl)-5-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide is COc1ccccc1CNC(=O)c1nc(-c2cc(C)nc(N)c2)c(-c2ccc(F)cc2)nc1N.
What is the InChIKey of 3-amino-6-(2-amino-6-methyl-4-pyridinyl)-5-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide?
The InChIKey is YVXMYZVXPXALPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN6O2/c1-14-11-17(12-20(27)30-14)22-21(15-7-9-18(26)10-8-15)32-24(28)23(31-22)25(33)29-13-16-5-3-4-6-19(16)34-2/h3-12H,13H2,1-2H3,(H2,27,30)(H2,28,32)(H,29,33).
What are the key properties of 3-amino-6-(2-amino-6-methyl-4-pyridinyl)-5-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide?
3-amino-6-(2-amino-6-methyl-4-pyridinyl)-5-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide has a molecular weight of 458.50 g/mol, XLogP of 3.76, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(2-amino-6-methyl-4-pyridinyl)-5-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 155209362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).