6-[3-chloro-6-(difluoromethyl)-2-fluorophenyl]-N-[1-[[6-[(1R,5S)-2-oxo-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]methyl]pyrazol-4-yl]pyrazine-2-carboxamide

C26H19ClF3N7O2 — CID 168679521

IUPAC6-[3-chloro-6-(difluoromethyl)-2-fluorophenyl]-N-[1-[[6-[(1R,5S)-2-oxo-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]methyl]pyrazol-4-yl]pyrazine-2-carboxamide
SMILESO=C(Nc1cnn(Cc2ccc(N3C[C@H]4C[C@H]4C3=O)nc2)c1)c1cncc(-c2c(C(F)F)ccc(Cl)c2F)n1
InChIInChI=1S/C26H19ClF3N7O2/c27-18-3-2-16(24(29)30)22(23(18)28)19-8-31-9-20(35-19)25(38)34-15-7-33-36(12-15)10-13-1-4-21(32-6-13)37-11-14-5-17(14)26(37)39/h1-4,6-9,12,14,17,24H,5,10-11H2,(H,34,38)/t14-,17-/m1/s1
InChIKeyCGUAQMUKXSBBSE-RHSMWYFYSA-N
MW553.93 g/mol
LogP4.75
Rot. Bonds7

About 6-[3-chloro-6-(difluoromethyl)-2-fluorophenyl]-N-[1-[[6-[(1R,5S)-2-oxo-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]methyl]pyrazol-4-yl]pyrazine-2-carboxamide

6-[3-chloro-6-(difluoromethyl)-2-fluorophenyl]-N-[1-[[6-[(1R,5S)-2-oxo-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]methyl]pyrazol-4-yl]pyrazine-2-carboxamide (PubChem CID 168679521) has the molecular formula C26H19ClF3N7O2 and a molecular weight of 553.93 g/mol. Its IUPAC name is 6-[3-chloro-6-(difluoromethyl)-2-fluorophenyl]-N-[1-[[6-[(1R,5S)-2-oxo-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]methyl]pyrazol-4-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-[3-chloro-6-(difluoromethyl)-2-fluorophenyl]-N-[1-[[6-[(1R,5S)-2-oxo-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]methyl]pyrazol-4-yl]pyrazine-2-carboxamide
PubChem CID168679521
Molecular FormulaC26H19ClF3N7O2
Molecular Weight553.93 g/mol
Exact Mass553.12
IUPAC Name6-[3-chloro-6-(difluoromethyl)-2-fluorophenyl]-N-[1-[[6-[(1R,5S)-2-oxo-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]methyl]pyrazol-4-yl]pyrazine-2-carboxamide
SMILESO=C(Nc1cnn(Cc2ccc(N3C[C@H]4C[C@H]4C3=O)nc2)c1)c1cncc(-c2c(C(F)F)ccc(Cl)c2F)n1
InChIInChI=1S/C26H19ClF3N7O2/c27-18-3-2-16(24(29)30)22(23(18)28)19-8-31-9-20(35-19)25(38)34-15-7-33-36(12-15)10-13-1-4-21(32-6-13)37-11-14-5-17(14)26(37)39/h1-4,6-9,12,14,17,24H,5,10-11H2,(H,34,38)/t14-,17-/m1/s1
InChIKeyCGUAQMUKXSBBSE-RHSMWYFYSA-N
XLogP4.75
TPSA105.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500553.93
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-[3-chloro-6-(difluoromethyl)-2-fluorophenyl]-N-[1-[[6-[(1R,5S)-2-oxo-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]methyl]pyrazol-4-yl]pyrazine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[3-chloro-6-(difluoromethyl)-2-fluorophenyl]-N-[1-[[6-[(1R,5S)-2-oxo-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]methyl]pyrazol-4-yl]pyrazine-2-carboxamide?
The IUPAC name of 6-[3-chloro-6-(difluoromethyl)-2-fluorophenyl]-N-[1-[[6-[(1R,5S)-2-oxo-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]methyl]pyrazol-4-yl]pyrazine-2-carboxamide (CID 168679521) is 6-[3-chloro-6-(difluoromethyl)-2-fluorophenyl]-N-[1-[[6-[(1R,5S)-2-oxo-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]methyl]pyrazol-4-yl]pyrazine-2-carboxamide.
What is the SMILES notation for 6-[3-chloro-6-(difluoromethyl)-2-fluorophenyl]-N-[1-[[6-[(1R,5S)-2-oxo-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]methyl]pyrazol-4-yl]pyrazine-2-carboxamide?
The canonical SMILES for 6-[3-chloro-6-(difluoromethyl)-2-fluorophenyl]-N-[1-[[6-[(1R,5S)-2-oxo-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]methyl]pyrazol-4-yl]pyrazine-2-carboxamide is O=C(Nc1cnn(Cc2ccc(N3C[C@H]4C[C@H]4C3=O)nc2)c1)c1cncc(-c2c(C(F)F)ccc(Cl)c2F)n1.
What is the InChIKey of 6-[3-chloro-6-(difluoromethyl)-2-fluorophenyl]-N-[1-[[6-[(1R,5S)-2-oxo-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]methyl]pyrazol-4-yl]pyrazine-2-carboxamide?
The InChIKey is CGUAQMUKXSBBSE-RHSMWYFYSA-N. The full InChI is InChI=1S/C26H19ClF3N7O2/c27-18-3-2-16(24(29)30)22(23(18)28)19-8-31-9-20(35-19)25(38)34-15-7-33-36(12-15)10-13-1-4-21(32-6-13)37-11-14-5-17(14)26(37)39/h1-4,6-9,12,14,17,24H,5,10-11H2,(H,34,38)/t14-,17-/m1/s1.
What are the key properties of 6-[3-chloro-6-(difluoromethyl)-2-fluorophenyl]-N-[1-[[6-[(1R,5S)-2-oxo-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]methyl]pyrazol-4-yl]pyrazine-2-carboxamide?
6-[3-chloro-6-(difluoromethyl)-2-fluorophenyl]-N-[1-[[6-[(1R,5S)-2-oxo-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]methyl]pyrazol-4-yl]pyrazine-2-carboxamide has a molecular weight of 553.93 g/mol, XLogP of 4.75, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-chloro-6-(difluoromethyl)-2-fluorophenyl]-N-[1-[[6-[(1R,5S)-2-oxo-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]methyl]pyrazol-4-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 168679521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).