5-[5-amino-6-[3-[3-(difluoromethoxy)-2-pyridinyl]propanoyl]-3-(1,3-oxazol-2-yl)pyrazin-2-yl]-1-methylpyridin-2-one;3-(difluoromethoxy)pyridine-2-carbonitrile;[3-(difluoromethoxy)-2-pyridinyl]methanamine

C36H30F6N10O6 — CID 159249567

IUPAC5-[5-amino-6-[3-[3-(difluoromethoxy)-2-pyridinyl]propanoyl]-3-(1,3-oxazol-2-yl)pyrazin-2-yl]-1-methylpyridin-2-one;3-(difluoromethoxy)pyridine-2-carbonitrile;[3-(difluoromethoxy)-2-pyridinyl]methanamine
SMILESCn1cc(-c2nc(C(=O)CCc3ncccc3OC(F)F)c(N)nc2-c2ncco2)ccc1=O.N#Cc1ncccc1OC(F)F.NCc1ncccc1OC(F)F
InChIInChI=1S/C22H18F2N6O4.C7H8F2N2O.C7H4F2N2O/c1-30-11-12(4-7-16(30)32)17-19(21-27-9-10-33-21)29-20(25)18(28-17)14(31)6-5-13-15(34-22(23)24)3-2-8-26-13;2*8-7(9)12-6-2-1-3-11-5(6)4-10/h2-4,7-11,22H,5-6H2,1H3,(H2,25,29);1-3,7H,4,10H2;1-3,7H
InChIKeyKVCRNSKXVNDLTO-UHFFFAOYSA-N
MW812.69 g/mol
LogP5.59
Rot. Bonds13

About 5-[5-amino-6-[3-[3-(difluoromethoxy)-2-pyridinyl]propanoyl]-3-(1,3-oxazol-2-yl)pyrazin-2-yl]-1-methylpyridin-2-one;3-(difluoromethoxy)pyridine-2-carbonitrile;[3-(difluoromethoxy)-2-pyridinyl]methanamine

5-[5-amino-6-[3-[3-(difluoromethoxy)-2-pyridinyl]propanoyl]-3-(1,3-oxazol-2-yl)pyrazin-2-yl]-1-methylpyridin-2-one;3-(difluoromethoxy)pyridine-2-carbonitrile;[3-(difluoromethoxy)-2-pyridinyl]methanamine (PubChem CID 159249567) has the molecular formula C36H30F6N10O6 and a molecular weight of 812.69 g/mol. Its IUPAC name is 5-[5-amino-6-[3-[3-(difluoromethoxy)-2-pyridinyl]propanoyl]-3-(1,3-oxazol-2-yl)pyrazin-2-yl]-1-methylpyridin-2-one;3-(difluoromethoxy)pyridine-2-carbonitrile;[3-(difluoromethoxy)-2-pyridinyl]methanamine.

Molecular Properties

Compound Name5-[5-amino-6-[3-[3-(difluoromethoxy)-2-pyridinyl]propanoyl]-3-(1,3-oxazol-2-yl)pyrazin-2-yl]-1-methylpyridin-2-one;3-(difluoromethoxy)pyridine-2-carbonitrile;[3-(difluoromethoxy)-2-pyridinyl]methanamine
PubChem CID159249567
Molecular FormulaC36H30F6N10O6
Molecular Weight812.69 g/mol
Exact Mass812.23
IUPAC Name5-[5-amino-6-[3-[3-(difluoromethoxy)-2-pyridinyl]propanoyl]-3-(1,3-oxazol-2-yl)pyrazin-2-yl]-1-methylpyridin-2-one;3-(difluoromethoxy)pyridine-2-carbonitrile;[3-(difluoromethoxy)-2-pyridinyl]methanamine
SMILESCn1cc(-c2nc(C(=O)CCc3ncccc3OC(F)F)c(N)nc2-c2ncco2)ccc1=O.N#Cc1ncccc1OC(F)F.NCc1ncccc1OC(F)F
InChIInChI=1S/C22H18F2N6O4.C7H8F2N2O.C7H4F2N2O/c1-30-11-12(4-7-16(30)32)17-19(21-27-9-10-33-21)29-20(25)18(28-17)14(31)6-5-13-15(34-22(23)24)3-2-8-26-13;2*8-7(9)12-6-2-1-3-11-5(6)4-10/h2-4,7-11,22H,5-6H2,1H3,(H2,25,29);1-3,7H,4,10H2;1-3,7H
InChIKeyKVCRNSKXVNDLTO-UHFFFAOYSA-N
XLogP5.59
TPSA233.07 Ų
H-Bond Donors2
H-Bond Acceptors16
Rotatable Bonds13
Heavy Atoms58
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500812.69
LogP ≤ 55.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1016

Analyze 5-[5-amino-6-[3-[3-(difluoromethoxy)-2-pyridinyl]propanoyl]-3-(1,3-oxazol-2-yl)pyrazin-2-yl]-1-methylpyridin-2-one;3-(difluoromethoxy)pyridine-2-carbonitrile;[3-(difluoromethoxy)-2-pyridinyl]methanamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[5-amino-6-[3-[3-(difluoromethoxy)-2-pyridinyl]propanoyl]-3-(1,3-oxazol-2-yl)pyrazin-2-yl]-1-methylpyridin-2-one;3-(difluoromethoxy)pyridine-2-carbonitrile;[3-(difluoromethoxy)-2-pyridinyl]methanamine?
The IUPAC name of 5-[5-amino-6-[3-[3-(difluoromethoxy)-2-pyridinyl]propanoyl]-3-(1,3-oxazol-2-yl)pyrazin-2-yl]-1-methylpyridin-2-one;3-(difluoromethoxy)pyridine-2-carbonitrile;[3-(difluoromethoxy)-2-pyridinyl]methanamine (CID 159249567) is 5-[5-amino-6-[3-[3-(difluoromethoxy)-2-pyridinyl]propanoyl]-3-(1,3-oxazol-2-yl)pyrazin-2-yl]-1-methylpyridin-2-one;3-(difluoromethoxy)pyridine-2-carbonitrile;[3-(difluoromethoxy)-2-pyridinyl]methanamine.
What is the SMILES notation for 5-[5-amino-6-[3-[3-(difluoromethoxy)-2-pyridinyl]propanoyl]-3-(1,3-oxazol-2-yl)pyrazin-2-yl]-1-methylpyridin-2-one;3-(difluoromethoxy)pyridine-2-carbonitrile;[3-(difluoromethoxy)-2-pyridinyl]methanamine?
The canonical SMILES for 5-[5-amino-6-[3-[3-(difluoromethoxy)-2-pyridinyl]propanoyl]-3-(1,3-oxazol-2-yl)pyrazin-2-yl]-1-methylpyridin-2-one;3-(difluoromethoxy)pyridine-2-carbonitrile;[3-(difluoromethoxy)-2-pyridinyl]methanamine is Cn1cc(-c2nc(C(=O)CCc3ncccc3OC(F)F)c(N)nc2-c2ncco2)ccc1=O.N#Cc1ncccc1OC(F)F.NCc1ncccc1OC(F)F.
What is the InChIKey of 5-[5-amino-6-[3-[3-(difluoromethoxy)-2-pyridinyl]propanoyl]-3-(1,3-oxazol-2-yl)pyrazin-2-yl]-1-methylpyridin-2-one;3-(difluoromethoxy)pyridine-2-carbonitrile;[3-(difluoromethoxy)-2-pyridinyl]methanamine?
The InChIKey is KVCRNSKXVNDLTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F2N6O4.C7H8F2N2O.C7H4F2N2O/c1-30-11-12(4-7-16(30)32)17-19(21-27-9-10-33-21)29-20(25)18(28-17)14(31)6-5-13-15(34-22(23)24)3-2-8-26-13;2*8-7(9)12-6-2-1-3-11-5(6)4-10/h2-4,7-11,22H,5-6H2,1H3,(H2,25,29);1-3,7H,4,10H2;1-3,7H.
What are the key properties of 5-[5-amino-6-[3-[3-(difluoromethoxy)-2-pyridinyl]propanoyl]-3-(1,3-oxazol-2-yl)pyrazin-2-yl]-1-methylpyridin-2-one;3-(difluoromethoxy)pyridine-2-carbonitrile;[3-(difluoromethoxy)-2-pyridinyl]methanamine?
5-[5-amino-6-[3-[3-(difluoromethoxy)-2-pyridinyl]propanoyl]-3-(1,3-oxazol-2-yl)pyrazin-2-yl]-1-methylpyridin-2-one;3-(difluoromethoxy)pyridine-2-carbonitrile;[3-(difluoromethoxy)-2-pyridinyl]methanamine has a molecular weight of 812.69 g/mol, XLogP of 5.59, 13 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-amino-6-[3-[3-(difluoromethoxy)-2-pyridinyl]propanoyl]-3-(1,3-oxazol-2-yl)pyrazin-2-yl]-1-methylpyridin-2-one;3-(difluoromethoxy)pyridine-2-carbonitrile;[3-(difluoromethoxy)-2-pyridinyl]methanamine is sourced from PubChem (CID 159249567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).