N-[3-(2-amino-3-methyl-4-oxo-5,7-dihydro-4aH-furo[3,4-d]pyrimidin-7a-yl)-4-fluorophenyl]-5-cyanopyrazine-2-carboxamide

C19H16FN7O3 — CID 163828941

IUPACN-[3-(2-amino-3-methyl-4-oxo-5,7-dihydro-4aH-furo[3,4-d]pyrimidin-7a-yl)-4-fluorophenyl]-5-cyanopyrazine-2-carboxamide
SMILESCN1C(=O)C2COCC2(c2cc(NC(=O)c3cnc(C#N)cn3)ccc2F)N=C1N
InChIInChI=1S/C19H16FN7O3/c1-27-17(29)13-8-30-9-19(13,26-18(27)22)12-4-10(2-3-14(12)20)25-16(28)15-7-23-11(5-21)6-24-15/h2-4,6-7,13H,8-9H2,1H3,(H2,22,26)(H,25,28)
InChIKeyOBZIVNQGKGMIKC-UHFFFAOYSA-N
MW409.38 g/mol
LogP0.37
Rot. Bonds3

About N-[3-(2-amino-3-methyl-4-oxo-5,7-dihydro-4aH-furo[3,4-d]pyrimidin-7a-yl)-4-fluorophenyl]-5-cyanopyrazine-2-carboxamide

N-[3-(2-amino-3-methyl-4-oxo-5,7-dihydro-4aH-furo[3,4-d]pyrimidin-7a-yl)-4-fluorophenyl]-5-cyanopyrazine-2-carboxamide (PubChem CID 163828941) has the molecular formula C19H16FN7O3 and a molecular weight of 409.38 g/mol. Its IUPAC name is N-[3-(2-amino-3-methyl-4-oxo-5,7-dihydro-4aH-furo[3,4-d]pyrimidin-7a-yl)-4-fluorophenyl]-5-cyanopyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(2-amino-3-methyl-4-oxo-5,7-dihydro-4aH-furo[3,4-d]pyrimidin-7a-yl)-4-fluorophenyl]-5-cyanopyrazine-2-carboxamide
PubChem CID163828941
Molecular FormulaC19H16FN7O3
Molecular Weight409.38 g/mol
Exact Mass409.13
IUPAC NameN-[3-(2-amino-3-methyl-4-oxo-5,7-dihydro-4aH-furo[3,4-d]pyrimidin-7a-yl)-4-fluorophenyl]-5-cyanopyrazine-2-carboxamide
SMILESCN1C(=O)C2COCC2(c2cc(NC(=O)c3cnc(C#N)cn3)ccc2F)N=C1N
InChIInChI=1S/C19H16FN7O3/c1-27-17(29)13-8-30-9-19(13,26-18(27)22)12-4-10(2-3-14(12)20)25-16(28)15-7-23-11(5-21)6-24-15/h2-4,6-7,13H,8-9H2,1H3,(H2,22,26)(H,25,28)
InChIKeyOBZIVNQGKGMIKC-UHFFFAOYSA-N
XLogP0.37
TPSA146.59 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.38
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[3-(2-amino-3-methyl-4-oxo-5,7-dihydro-4aH-furo[3,4-d]pyrimidin-7a-yl)-4-fluorophenyl]-5-cyanopyrazine-2-carboxamide with MolForge

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Related Compounds

N-[3-[(4aS)-2-amino-5-fluoro-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-8a-yl]-4-fluorophenyl]-5-cyanopyridine-2-carboxamide
CID 67217181
N-[3-[(4aS,5S,8aS)-2-amino-5-fluoro-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-8a-yl]-4-fluorophenyl]-5-cyanopyridine-2-carboxamide
CID 45279684
N-[3-[(4aR)-3-amino-2-methyl-1,1-dioxo-5,6,8,8a-tetrahydropyrano[4,3-e][1,2,4]thiadiazin-4a-yl]-4-fluorophenyl]-5-methoxypyrazine-2-carboxamide
CID 89036616
N-[3-[(4aS,5R,8aS)-2-amino-5-methoxy-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-8a-yl]-4-fluorophenyl]-5-cyanopyridine-2-carboxamide
CID 45279878
N-[3-[(4aS,7aR)-2-amino-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]thiazin-7a-yl]-4-fluorophenyl]-5-(difluoromethyl)pyrazine-2-carboxamide
CID 123924677
N-[3-(2-amino-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]thiazin-7a-yl)-4-fluorophenyl]-5-fluoropyridine-2-carboxamide
CID 57475760
N-[3-[(4aS,7R,7aS)-3-amino-7-(fluoromethyl)-2-methyl-1,1-dioxo-7,7a-dihydro-5H-furo[3,4-e][1,2,4]thiadiazin-4a-yl]-4-fluorophenyl]-5-(trifluoromethyl)pyrazine-2-carboxamide
CID 71468896
N-[3-(3-amino-1,1-dihydroxy-2-methyl-6-oxo-7,7a-dihydro-5H-cyclopenta[e][1,2,4]thiadiazin-4a-yl)-4-fluorophenyl]-5-fluoropyridine-2-carboxamide
CID 137356208
N-[3-[(4aS,7S,7aR)-3-amino-2,7-dimethyl-1,1-dioxo-7,7a-dihydro-5H-furo[3,4-e][1,2,4]thiadiazin-4a-yl]-4-fluorophenyl]-5-chloropyridine-2-carboxamide
CID 71468249
N-[3-[(4aS)-3-amino-2-methyl-1,1,6-trioxo-7,7a-dihydro-5H-cyclopenta[e][1,2,4]thiadiazin-4a-yl]-4-fluorophenyl]-5-fluoropyridine-2-carboxamide
CID 138722346
N-[3-[(4aR,5S,8aR)-2-amino-5-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-8a-yl]-4-fluorophenyl]-5-chloropyridine-2-carboxamide
CID 67952280
N-[3-[(4aS,5S,8aS)-2-amino-5-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-8a-yl]-4-fluorophenyl]-5-chloropyridine-2-carboxamide
CID 67952281

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-amino-3-methyl-4-oxo-5,7-dihydro-4aH-furo[3,4-d]pyrimidin-7a-yl)-4-fluorophenyl]-5-cyanopyrazine-2-carboxamide?
The IUPAC name of N-[3-(2-amino-3-methyl-4-oxo-5,7-dihydro-4aH-furo[3,4-d]pyrimidin-7a-yl)-4-fluorophenyl]-5-cyanopyrazine-2-carboxamide (CID 163828941) is N-[3-(2-amino-3-methyl-4-oxo-5,7-dihydro-4aH-furo[3,4-d]pyrimidin-7a-yl)-4-fluorophenyl]-5-cyanopyrazine-2-carboxamide.
What is the SMILES notation for N-[3-(2-amino-3-methyl-4-oxo-5,7-dihydro-4aH-furo[3,4-d]pyrimidin-7a-yl)-4-fluorophenyl]-5-cyanopyrazine-2-carboxamide?
The canonical SMILES for N-[3-(2-amino-3-methyl-4-oxo-5,7-dihydro-4aH-furo[3,4-d]pyrimidin-7a-yl)-4-fluorophenyl]-5-cyanopyrazine-2-carboxamide is CN1C(=O)C2COCC2(c2cc(NC(=O)c3cnc(C#N)cn3)ccc2F)N=C1N.
What is the InChIKey of N-[3-(2-amino-3-methyl-4-oxo-5,7-dihydro-4aH-furo[3,4-d]pyrimidin-7a-yl)-4-fluorophenyl]-5-cyanopyrazine-2-carboxamide?
The InChIKey is OBZIVNQGKGMIKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN7O3/c1-27-17(29)13-8-30-9-19(13,26-18(27)22)12-4-10(2-3-14(12)20)25-16(28)15-7-23-11(5-21)6-24-15/h2-4,6-7,13H,8-9H2,1H3,(H2,22,26)(H,25,28).
What are the key properties of N-[3-(2-amino-3-methyl-4-oxo-5,7-dihydro-4aH-furo[3,4-d]pyrimidin-7a-yl)-4-fluorophenyl]-5-cyanopyrazine-2-carboxamide?
N-[3-(2-amino-3-methyl-4-oxo-5,7-dihydro-4aH-furo[3,4-d]pyrimidin-7a-yl)-4-fluorophenyl]-5-cyanopyrazine-2-carboxamide has a molecular weight of 409.38 g/mol, XLogP of 0.37, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-amino-3-methyl-4-oxo-5,7-dihydro-4aH-furo[3,4-d]pyrimidin-7a-yl)-4-fluorophenyl]-5-cyanopyrazine-2-carboxamide is sourced from PubChem (CID 163828941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).