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

C37H25F4N9O2 — CID 69149862

IUPAC1-[1-[[6-(2-fluorophenyl)-5-(3-fluoro-4-pyridinyl)pyrazin-2-yl]carbamoyl]cyclopropyl]-N-[5-(3-fluoro-4-pyridinyl)-6-(5-fluoro-2-pyridinyl)pyrazin-2-yl]cyclopropane-1-carboxamide
SMILESO=C(Nc1cnc(-c2ccncc2F)c(-c2ccc(F)cn2)n1)C1(C2(C(=O)Nc3cnc(-c4ccncc4F)c(-c4ccccc4F)n3)CC2)CC1
InChIInChI=1S/C37H25F4N9O2/c38-20-5-6-27(44-15-20)33-31(23-8-14-43-17-26(23)41)46-19-29(48-33)50-35(52)37(11-12-37)36(9-10-36)34(51)49-28-18-45-30(22-7-13-42-16-25(22)40)32(47-28)21-3-1-2-4-24(21)39/h1-8,13-19H,9-12H2,(H,47,49,51)(H,48,50,52)
InChIKeyYSBIJKGASRWGAC-UHFFFAOYSA-N
MW703.66 g/mol
LogP6.81
Rot. Bonds9

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

1-[1-[[6-(2-fluorophenyl)-5-(3-fluoro-4-pyridinyl)pyrazin-2-yl]carbamoyl]cyclopropyl]-N-[5-(3-fluoro-4-pyridinyl)-6-(5-fluoro-2-pyridinyl)pyrazin-2-yl]cyclopropane-1-carboxamide (PubChem CID 69149862) has the molecular formula C37H25F4N9O2 and a molecular weight of 703.66 g/mol. Its IUPAC name is 1-[1-[[6-(2-fluorophenyl)-5-(3-fluoro-4-pyridinyl)pyrazin-2-yl]carbamoyl]cyclopropyl]-N-[5-(3-fluoro-4-pyridinyl)-6-(5-fluoro-2-pyridinyl)pyrazin-2-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-[1-[[6-(2-fluorophenyl)-5-(3-fluoro-4-pyridinyl)pyrazin-2-yl]carbamoyl]cyclopropyl]-N-[5-(3-fluoro-4-pyridinyl)-6-(5-fluoro-2-pyridinyl)pyrazin-2-yl]cyclopropane-1-carboxamide
PubChem CID69149862
Molecular FormulaC37H25F4N9O2
Molecular Weight703.66 g/mol
Exact Mass703.21
IUPAC Name1-[1-[[6-(2-fluorophenyl)-5-(3-fluoro-4-pyridinyl)pyrazin-2-yl]carbamoyl]cyclopropyl]-N-[5-(3-fluoro-4-pyridinyl)-6-(5-fluoro-2-pyridinyl)pyrazin-2-yl]cyclopropane-1-carboxamide
SMILESO=C(Nc1cnc(-c2ccncc2F)c(-c2ccc(F)cn2)n1)C1(C2(C(=O)Nc3cnc(-c4ccncc4F)c(-c4ccccc4F)n3)CC2)CC1
InChIInChI=1S/C37H25F4N9O2/c38-20-5-6-27(44-15-20)33-31(23-8-14-43-17-26(23)41)46-19-29(48-33)50-35(52)37(11-12-37)36(9-10-36)34(51)49-28-18-45-30(22-7-13-42-16-25(22)40)32(47-28)21-3-1-2-4-24(21)39/h1-8,13-19H,9-12H2,(H,47,49,51)(H,48,50,52)
InChIKeyYSBIJKGASRWGAC-UHFFFAOYSA-N
XLogP6.81
TPSA148.43 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500703.66
LogP ≤ 56.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[[6-(2-fluorophenyl)-5-(3-fluoro-4-pyridinyl)pyrazin-2-yl]carbamoyl]cyclopropyl]-N-[5-(3-fluoro-4-pyridinyl)-6-(5-fluoro-2-pyridinyl)pyrazin-2-yl]cyclopropane-1-carboxamide?
The IUPAC name of 1-[1-[[6-(2-fluorophenyl)-5-(3-fluoro-4-pyridinyl)pyrazin-2-yl]carbamoyl]cyclopropyl]-N-[5-(3-fluoro-4-pyridinyl)-6-(5-fluoro-2-pyridinyl)pyrazin-2-yl]cyclopropane-1-carboxamide (CID 69149862) is 1-[1-[[6-(2-fluorophenyl)-5-(3-fluoro-4-pyridinyl)pyrazin-2-yl]carbamoyl]cyclopropyl]-N-[5-(3-fluoro-4-pyridinyl)-6-(5-fluoro-2-pyridinyl)pyrazin-2-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-[1-[[6-(2-fluorophenyl)-5-(3-fluoro-4-pyridinyl)pyrazin-2-yl]carbamoyl]cyclopropyl]-N-[5-(3-fluoro-4-pyridinyl)-6-(5-fluoro-2-pyridinyl)pyrazin-2-yl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-[1-[[6-(2-fluorophenyl)-5-(3-fluoro-4-pyridinyl)pyrazin-2-yl]carbamoyl]cyclopropyl]-N-[5-(3-fluoro-4-pyridinyl)-6-(5-fluoro-2-pyridinyl)pyrazin-2-yl]cyclopropane-1-carboxamide is O=C(Nc1cnc(-c2ccncc2F)c(-c2ccc(F)cn2)n1)C1(C2(C(=O)Nc3cnc(-c4ccncc4F)c(-c4ccccc4F)n3)CC2)CC1.
What is the InChIKey of 1-[1-[[6-(2-fluorophenyl)-5-(3-fluoro-4-pyridinyl)pyrazin-2-yl]carbamoyl]cyclopropyl]-N-[5-(3-fluoro-4-pyridinyl)-6-(5-fluoro-2-pyridinyl)pyrazin-2-yl]cyclopropane-1-carboxamide?
The InChIKey is YSBIJKGASRWGAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H25F4N9O2/c38-20-5-6-27(44-15-20)33-31(23-8-14-43-17-26(23)41)46-19-29(48-33)50-35(52)37(11-12-37)36(9-10-36)34(51)49-28-18-45-30(22-7-13-42-16-25(22)40)32(47-28)21-3-1-2-4-24(21)39/h1-8,13-19H,9-12H2,(H,47,49,51)(H,48,50,52).
What are the key properties of 1-[1-[[6-(2-fluorophenyl)-5-(3-fluoro-4-pyridinyl)pyrazin-2-yl]carbamoyl]cyclopropyl]-N-[5-(3-fluoro-4-pyridinyl)-6-(5-fluoro-2-pyridinyl)pyrazin-2-yl]cyclopropane-1-carboxamide?
1-[1-[[6-(2-fluorophenyl)-5-(3-fluoro-4-pyridinyl)pyrazin-2-yl]carbamoyl]cyclopropyl]-N-[5-(3-fluoro-4-pyridinyl)-6-(5-fluoro-2-pyridinyl)pyrazin-2-yl]cyclopropane-1-carboxamide has a molecular weight of 703.66 g/mol, XLogP of 6.81, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[[6-(2-fluorophenyl)-5-(3-fluoro-4-pyridinyl)pyrazin-2-yl]carbamoyl]cyclopropyl]-N-[5-(3-fluoro-4-pyridinyl)-6-(5-fluoro-2-pyridinyl)pyrazin-2-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 69149862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).