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

C27H21ClF3N7O3 — CID 162520453

IUPAC6-[3-chloro-6-(difluoromethyl)-2-fluorophenyl]-N-[1-[[5-methoxy-6-[(1R,5S)-2-oxo-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]methyl]pyrazol-4-yl]pyrazine-2-carboxamide
SMILESCOc1cc(Cn2cc(NC(=O)c3cncc(-c4c(C(F)F)ccc(Cl)c4F)n3)cn2)cnc1N1C[C@H]2C[C@H]2C1=O
InChIInChI=1S/C27H21ClF3N7O3/c1-41-21-4-13(6-33-25(21)38-11-14-5-17(14)27(38)40)10-37-12-15(7-34-37)35-26(39)20-9-32-8-19(36-20)22-16(24(30)31)2-3-18(28)23(22)29/h2-4,6-9,12,14,17,24H,5,10-11H2,1H3,(H,35,39)/t14-,17-/m1/s1
InChIKeyVGEIARNAACQQRK-RHSMWYFYSA-N
MW583.96 g/mol
LogP4.76
Rot. Bonds8

About 6-[3-chloro-6-(difluoromethyl)-2-fluorophenyl]-N-[1-[[5-methoxy-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-[[5-methoxy-6-[(1R,5S)-2-oxo-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]methyl]pyrazol-4-yl]pyrazine-2-carboxamide (PubChem CID 162520453) has the molecular formula C27H21ClF3N7O3 and a molecular weight of 583.96 g/mol. Its IUPAC name is 6-[3-chloro-6-(difluoromethyl)-2-fluorophenyl]-N-[1-[[5-methoxy-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-[[5-methoxy-6-[(1R,5S)-2-oxo-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]methyl]pyrazol-4-yl]pyrazine-2-carboxamide
PubChem CID162520453
Molecular FormulaC27H21ClF3N7O3
Molecular Weight583.96 g/mol
Exact Mass583.13
IUPAC Name6-[3-chloro-6-(difluoromethyl)-2-fluorophenyl]-N-[1-[[5-methoxy-6-[(1R,5S)-2-oxo-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]methyl]pyrazol-4-yl]pyrazine-2-carboxamide
SMILESCOc1cc(Cn2cc(NC(=O)c3cncc(-c4c(C(F)F)ccc(Cl)c4F)n3)cn2)cnc1N1C[C@H]2C[C@H]2C1=O
InChIInChI=1S/C27H21ClF3N7O3/c1-41-21-4-13(6-33-25(21)38-11-14-5-17(14)27(38)40)10-37-12-15(7-34-37)35-26(39)20-9-32-8-19(36-20)22-16(24(30)31)2-3-18(28)23(22)29/h2-4,6-9,12,14,17,24H,5,10-11H2,1H3,(H,35,39)/t14-,17-/m1/s1
InChIKeyVGEIARNAACQQRK-RHSMWYFYSA-N
XLogP4.76
TPSA115.13 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500583.96
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[3-chloro-6-(difluoromethyl)-2-fluorophenyl]-N-[1-[[5-methoxy-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-[[5-methoxy-6-[(1R,5S)-2-oxo-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]methyl]pyrazol-4-yl]pyrazine-2-carboxamide (CID 162520453) is 6-[3-chloro-6-(difluoromethyl)-2-fluorophenyl]-N-[1-[[5-methoxy-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-[[5-methoxy-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-[[5-methoxy-6-[(1R,5S)-2-oxo-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]methyl]pyrazol-4-yl]pyrazine-2-carboxamide is COc1cc(Cn2cc(NC(=O)c3cncc(-c4c(C(F)F)ccc(Cl)c4F)n3)cn2)cnc1N1C[C@H]2C[C@H]2C1=O.
What is the InChIKey of 6-[3-chloro-6-(difluoromethyl)-2-fluorophenyl]-N-[1-[[5-methoxy-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 VGEIARNAACQQRK-RHSMWYFYSA-N. The full InChI is InChI=1S/C27H21ClF3N7O3/c1-41-21-4-13(6-33-25(21)38-11-14-5-17(14)27(38)40)10-37-12-15(7-34-37)35-26(39)20-9-32-8-19(36-20)22-16(24(30)31)2-3-18(28)23(22)29/h2-4,6-9,12,14,17,24H,5,10-11H2,1H3,(H,35,39)/t14-,17-/m1/s1.
What are the key properties of 6-[3-chloro-6-(difluoromethyl)-2-fluorophenyl]-N-[1-[[5-methoxy-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-[[5-methoxy-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 583.96 g/mol, XLogP of 4.76, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-chloro-6-(difluoromethyl)-2-fluorophenyl]-N-[1-[[5-methoxy-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 162520453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).