N-[5-(3-fluoro-4-pyridinyl)-6-pyridin-3-ylpyrazin-2-yl]cyclobutanecarboxamide;3,3,3-trifluoro-N-[5-(3-fluoro-4-pyridinyl)-6-pyridin-3-ylpyrazin-2-yl]propanamide

C36H27F5N10O2 — CID 69175257

IUPACN-[5-(3-fluoro-4-pyridinyl)-6-pyridin-3-ylpyrazin-2-yl]cyclobutanecarboxamide;3,3,3-trifluoro-N-[5-(3-fluoro-4-pyridinyl)-6-pyridin-3-ylpyrazin-2-yl]propanamide
SMILESO=C(CC(F)(F)F)Nc1cnc(-c2ccncc2F)c(-c2cccnc2)n1.O=C(Nc1cnc(-c2ccncc2F)c(-c2cccnc2)n1)C1CCC1
InChIInChI=1S/C19H16FN5O.C17H11F4N5O/c20-15-10-22-8-6-14(15)18-17(13-5-2-7-21-9-13)24-16(11-23-18)25-19(26)12-3-1-4-12;18-12-8-23-5-3-11(12)16-15(10-2-1-4-22-7-10)26-13(9-24-16)25-14(27)6-17(19,20)21/h2,5-12H,1,3-4H2,(H,24,25,26);1-5,7-9H,6H2,(H,25,26,27)
InChIKeyPPUBJZMWARGRPD-UHFFFAOYSA-N
MW726.67 g/mol
LogP7.11
Rot. Bonds8

About N-[5-(3-fluoro-4-pyridinyl)-6-pyridin-3-ylpyrazin-2-yl]cyclobutanecarboxamide;3,3,3-trifluoro-N-[5-(3-fluoro-4-pyridinyl)-6-pyridin-3-ylpyrazin-2-yl]propanamide

N-[5-(3-fluoro-4-pyridinyl)-6-pyridin-3-ylpyrazin-2-yl]cyclobutanecarboxamide;3,3,3-trifluoro-N-[5-(3-fluoro-4-pyridinyl)-6-pyridin-3-ylpyrazin-2-yl]propanamide (PubChem CID 69175257) has the molecular formula C36H27F5N10O2 and a molecular weight of 726.67 g/mol. Its IUPAC name is N-[5-(3-fluoro-4-pyridinyl)-6-pyridin-3-ylpyrazin-2-yl]cyclobutanecarboxamide;3,3,3-trifluoro-N-[5-(3-fluoro-4-pyridinyl)-6-pyridin-3-ylpyrazin-2-yl]propanamide.

Molecular Properties

Compound NameN-[5-(3-fluoro-4-pyridinyl)-6-pyridin-3-ylpyrazin-2-yl]cyclobutanecarboxamide;3,3,3-trifluoro-N-[5-(3-fluoro-4-pyridinyl)-6-pyridin-3-ylpyrazin-2-yl]propanamide
PubChem CID69175257
Molecular FormulaC36H27F5N10O2
Molecular Weight726.67 g/mol
Exact Mass726.22
IUPAC NameN-[5-(3-fluoro-4-pyridinyl)-6-pyridin-3-ylpyrazin-2-yl]cyclobutanecarboxamide;3,3,3-trifluoro-N-[5-(3-fluoro-4-pyridinyl)-6-pyridin-3-ylpyrazin-2-yl]propanamide
SMILESO=C(CC(F)(F)F)Nc1cnc(-c2ccncc2F)c(-c2cccnc2)n1.O=C(Nc1cnc(-c2ccncc2F)c(-c2cccnc2)n1)C1CCC1
InChIInChI=1S/C19H16FN5O.C17H11F4N5O/c20-15-10-22-8-6-14(15)18-17(13-5-2-7-21-9-13)24-16(11-23-18)25-19(26)12-3-1-4-12;18-12-8-23-5-3-11(12)16-15(10-2-1-4-22-7-10)26-13(9-24-16)25-14(27)6-17(19,20)21/h2,5-12H,1,3-4H2,(H,24,25,26);1-5,7-9H,6H2,(H,25,26,27)
InChIKeyPPUBJZMWARGRPD-UHFFFAOYSA-N
XLogP7.11
TPSA161.32 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500726.67
LogP ≤ 57.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of N-[5-(3-fluoro-4-pyridinyl)-6-pyridin-3-ylpyrazin-2-yl]cyclobutanecarboxamide;3,3,3-trifluoro-N-[5-(3-fluoro-4-pyridinyl)-6-pyridin-3-ylpyrazin-2-yl]propanamide?
The IUPAC name of N-[5-(3-fluoro-4-pyridinyl)-6-pyridin-3-ylpyrazin-2-yl]cyclobutanecarboxamide;3,3,3-trifluoro-N-[5-(3-fluoro-4-pyridinyl)-6-pyridin-3-ylpyrazin-2-yl]propanamide (CID 69175257) is N-[5-(3-fluoro-4-pyridinyl)-6-pyridin-3-ylpyrazin-2-yl]cyclobutanecarboxamide;3,3,3-trifluoro-N-[5-(3-fluoro-4-pyridinyl)-6-pyridin-3-ylpyrazin-2-yl]propanamide.
What is the SMILES notation for N-[5-(3-fluoro-4-pyridinyl)-6-pyridin-3-ylpyrazin-2-yl]cyclobutanecarboxamide;3,3,3-trifluoro-N-[5-(3-fluoro-4-pyridinyl)-6-pyridin-3-ylpyrazin-2-yl]propanamide?
The canonical SMILES for N-[5-(3-fluoro-4-pyridinyl)-6-pyridin-3-ylpyrazin-2-yl]cyclobutanecarboxamide;3,3,3-trifluoro-N-[5-(3-fluoro-4-pyridinyl)-6-pyridin-3-ylpyrazin-2-yl]propanamide is O=C(CC(F)(F)F)Nc1cnc(-c2ccncc2F)c(-c2cccnc2)n1.O=C(Nc1cnc(-c2ccncc2F)c(-c2cccnc2)n1)C1CCC1.
What is the InChIKey of N-[5-(3-fluoro-4-pyridinyl)-6-pyridin-3-ylpyrazin-2-yl]cyclobutanecarboxamide;3,3,3-trifluoro-N-[5-(3-fluoro-4-pyridinyl)-6-pyridin-3-ylpyrazin-2-yl]propanamide?
The InChIKey is PPUBJZMWARGRPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN5O.C17H11F4N5O/c20-15-10-22-8-6-14(15)18-17(13-5-2-7-21-9-13)24-16(11-23-18)25-19(26)12-3-1-4-12;18-12-8-23-5-3-11(12)16-15(10-2-1-4-22-7-10)26-13(9-24-16)25-14(27)6-17(19,20)21/h2,5-12H,1,3-4H2,(H,24,25,26);1-5,7-9H,6H2,(H,25,26,27).
What are the key properties of N-[5-(3-fluoro-4-pyridinyl)-6-pyridin-3-ylpyrazin-2-yl]cyclobutanecarboxamide;3,3,3-trifluoro-N-[5-(3-fluoro-4-pyridinyl)-6-pyridin-3-ylpyrazin-2-yl]propanamide?
N-[5-(3-fluoro-4-pyridinyl)-6-pyridin-3-ylpyrazin-2-yl]cyclobutanecarboxamide;3,3,3-trifluoro-N-[5-(3-fluoro-4-pyridinyl)-6-pyridin-3-ylpyrazin-2-yl]propanamide has a molecular weight of 726.67 g/mol, XLogP of 7.11, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-fluoro-4-pyridinyl)-6-pyridin-3-ylpyrazin-2-yl]cyclobutanecarboxamide;3,3,3-trifluoro-N-[5-(3-fluoro-4-pyridinyl)-6-pyridin-3-ylpyrazin-2-yl]propanamide is sourced from PubChem (CID 69175257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).