1-[1-[[5-(3-fluoro-4-pyridinyl)-6-(5-methoxy-3-pyridinyl)pyrazin-2-yl]carbamoyl]cyclopropyl]-N-[5-(3-fluoro-4-pyridinyl)-6-(6-oxo-1H-pyridin-3-yl)pyrazin-2-yl]cyclopropane-1-carboxamide

C37H28F2N10O4 — CID 69147805

IUPAC1-[1-[[5-(3-fluoro-4-pyridinyl)-6-(5-methoxy-3-pyridinyl)pyrazin-2-yl]carbamoyl]cyclopropyl]-N-[5-(3-fluoro-4-pyridinyl)-6-(6-oxo-1H-pyridin-3-yl)pyrazin-2-yl]cyclopropane-1-carboxamide
SMILESCOc1cncc(-c2nc(NC(=O)C3(C4(C(=O)Nc5cnc(-c6ccncc6F)c(-c6ccc(=O)[nH]c6)n5)CC4)CC3)cnc2-c2ccncc2F)c1
InChIInChI=1S/C37H28F2N10O4/c1-53-22-12-21(13-42-15-22)31-33(24-5-11-41-17-26(24)39)45-19-28(47-31)49-35(52)37(8-9-37)36(6-7-36)34(51)48-27-18-44-32(23-4-10-40-16-25(23)38)30(46-27)20-2-3-29(50)43-14-20/h2-5,10-19H,6-9H2,1H3,(H,43,50)(H,46,48,51)(H,47,49,52)
InChIKeyCAPHYONZMXLSEF-UHFFFAOYSA-N
MW714.69 g/mol
LogP5.23
Rot. Bonds10

About 1-[1-[[5-(3-fluoro-4-pyridinyl)-6-(5-methoxy-3-pyridinyl)pyrazin-2-yl]carbamoyl]cyclopropyl]-N-[5-(3-fluoro-4-pyridinyl)-6-(6-oxo-1H-pyridin-3-yl)pyrazin-2-yl]cyclopropane-1-carboxamide

1-[1-[[5-(3-fluoro-4-pyridinyl)-6-(5-methoxy-3-pyridinyl)pyrazin-2-yl]carbamoyl]cyclopropyl]-N-[5-(3-fluoro-4-pyridinyl)-6-(6-oxo-1H-pyridin-3-yl)pyrazin-2-yl]cyclopropane-1-carboxamide (PubChem CID 69147805) has the molecular formula C37H28F2N10O4 and a molecular weight of 714.69 g/mol. Its IUPAC name is 1-[1-[[5-(3-fluoro-4-pyridinyl)-6-(5-methoxy-3-pyridinyl)pyrazin-2-yl]carbamoyl]cyclopropyl]-N-[5-(3-fluoro-4-pyridinyl)-6-(6-oxo-1H-pyridin-3-yl)pyrazin-2-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-[1-[[5-(3-fluoro-4-pyridinyl)-6-(5-methoxy-3-pyridinyl)pyrazin-2-yl]carbamoyl]cyclopropyl]-N-[5-(3-fluoro-4-pyridinyl)-6-(6-oxo-1H-pyridin-3-yl)pyrazin-2-yl]cyclopropane-1-carboxamide
PubChem CID69147805
Molecular FormulaC37H28F2N10O4
Molecular Weight714.69 g/mol
Exact Mass714.23
IUPAC Name1-[1-[[5-(3-fluoro-4-pyridinyl)-6-(5-methoxy-3-pyridinyl)pyrazin-2-yl]carbamoyl]cyclopropyl]-N-[5-(3-fluoro-4-pyridinyl)-6-(6-oxo-1H-pyridin-3-yl)pyrazin-2-yl]cyclopropane-1-carboxamide
SMILESCOc1cncc(-c2nc(NC(=O)C3(C4(C(=O)Nc5cnc(-c6ccncc6F)c(-c6ccc(=O)[nH]c6)n5)CC4)CC3)cnc2-c2ccncc2F)c1
InChIInChI=1S/C37H28F2N10O4/c1-53-22-12-21(13-42-15-22)31-33(24-5-11-41-17-26(24)39)45-19-28(47-31)49-35(52)37(8-9-37)36(6-7-36)34(51)48-27-18-44-32(23-4-10-40-16-25(23)38)30(46-27)20-2-3-29(50)43-14-20/h2-5,10-19H,6-9H2,1H3,(H,43,50)(H,46,48,51)(H,47,49,52)
InChIKeyCAPHYONZMXLSEF-UHFFFAOYSA-N
XLogP5.23
TPSA190.52 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms53
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500714.69
LogP ≤ 55.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Analyze 1-[1-[[5-(3-fluoro-4-pyridinyl)-6-(5-methoxy-3-pyridinyl)pyrazin-2-yl]carbamoyl]cyclopropyl]-N-[5-(3-fluoro-4-pyridinyl)-6-(6-oxo-1H-pyridin-3-yl)pyrazin-2-yl]cyclopropane-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[[5-(3-fluoro-4-pyridinyl)-6-(5-methoxy-3-pyridinyl)pyrazin-2-yl]carbamoyl]cyclopropyl]-N-[5-(3-fluoro-4-pyridinyl)-6-(6-oxo-1H-pyridin-3-yl)pyrazin-2-yl]cyclopropane-1-carboxamide?
The IUPAC name of 1-[1-[[5-(3-fluoro-4-pyridinyl)-6-(5-methoxy-3-pyridinyl)pyrazin-2-yl]carbamoyl]cyclopropyl]-N-[5-(3-fluoro-4-pyridinyl)-6-(6-oxo-1H-pyridin-3-yl)pyrazin-2-yl]cyclopropane-1-carboxamide (CID 69147805) is 1-[1-[[5-(3-fluoro-4-pyridinyl)-6-(5-methoxy-3-pyridinyl)pyrazin-2-yl]carbamoyl]cyclopropyl]-N-[5-(3-fluoro-4-pyridinyl)-6-(6-oxo-1H-pyridin-3-yl)pyrazin-2-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-[1-[[5-(3-fluoro-4-pyridinyl)-6-(5-methoxy-3-pyridinyl)pyrazin-2-yl]carbamoyl]cyclopropyl]-N-[5-(3-fluoro-4-pyridinyl)-6-(6-oxo-1H-pyridin-3-yl)pyrazin-2-yl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-[1-[[5-(3-fluoro-4-pyridinyl)-6-(5-methoxy-3-pyridinyl)pyrazin-2-yl]carbamoyl]cyclopropyl]-N-[5-(3-fluoro-4-pyridinyl)-6-(6-oxo-1H-pyridin-3-yl)pyrazin-2-yl]cyclopropane-1-carboxamide is COc1cncc(-c2nc(NC(=O)C3(C4(C(=O)Nc5cnc(-c6ccncc6F)c(-c6ccc(=O)[nH]c6)n5)CC4)CC3)cnc2-c2ccncc2F)c1.
What is the InChIKey of 1-[1-[[5-(3-fluoro-4-pyridinyl)-6-(5-methoxy-3-pyridinyl)pyrazin-2-yl]carbamoyl]cyclopropyl]-N-[5-(3-fluoro-4-pyridinyl)-6-(6-oxo-1H-pyridin-3-yl)pyrazin-2-yl]cyclopropane-1-carboxamide?
The InChIKey is CAPHYONZMXLSEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H28F2N10O4/c1-53-22-12-21(13-42-15-22)31-33(24-5-11-41-17-26(24)39)45-19-28(47-31)49-35(52)37(8-9-37)36(6-7-36)34(51)48-27-18-44-32(23-4-10-40-16-25(23)38)30(46-27)20-2-3-29(50)43-14-20/h2-5,10-19H,6-9H2,1H3,(H,43,50)(H,46,48,51)(H,47,49,52).
What are the key properties of 1-[1-[[5-(3-fluoro-4-pyridinyl)-6-(5-methoxy-3-pyridinyl)pyrazin-2-yl]carbamoyl]cyclopropyl]-N-[5-(3-fluoro-4-pyridinyl)-6-(6-oxo-1H-pyridin-3-yl)pyrazin-2-yl]cyclopropane-1-carboxamide?
1-[1-[[5-(3-fluoro-4-pyridinyl)-6-(5-methoxy-3-pyridinyl)pyrazin-2-yl]carbamoyl]cyclopropyl]-N-[5-(3-fluoro-4-pyridinyl)-6-(6-oxo-1H-pyridin-3-yl)pyrazin-2-yl]cyclopropane-1-carboxamide has a molecular weight of 714.69 g/mol, XLogP of 5.23, 10 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[[5-(3-fluoro-4-pyridinyl)-6-(5-methoxy-3-pyridinyl)pyrazin-2-yl]carbamoyl]cyclopropyl]-N-[5-(3-fluoro-4-pyridinyl)-6-(6-oxo-1H-pyridin-3-yl)pyrazin-2-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 69147805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).