6-[3-chloro-6-(difluoromethyl)-2-fluorophenyl]-N-[1-[1-[2-(3-methyl-2-oxoimidazolidin-1-yl)pyrimidin-5-yl]ethyl]pyrazol-4-yl]pyrazine-2-carboxamide

C25H21ClF3N9O2 — CID 162520270

IUPAC6-[3-chloro-6-(difluoromethyl)-2-fluorophenyl]-N-[1-[1-[2-(3-methyl-2-oxoimidazolidin-1-yl)pyrimidin-5-yl]ethyl]pyrazol-4-yl]pyrazine-2-carboxamide
SMILESCC(c1cnc(N2CCN(C)C2=O)nc1)n1cc(NC(=O)c2cncc(-c3c(C(F)F)ccc(Cl)c3F)n2)cn1
InChIInChI=1S/C25H21ClF3N9O2/c1-13(14-7-31-24(32-8-14)37-6-5-36(2)25(37)40)38-12-15(9-33-38)34-23(39)19-11-30-10-18(35-19)20-16(22(28)29)3-4-17(26)21(20)27/h3-4,7-13,22H,5-6H2,1-2H3,(H,34,39)
InChIKeyXQJAKETWRZIPRV-UHFFFAOYSA-N
MW571.95 g/mol
LogP4.59
Rot. Bonds7

About 6-[3-chloro-6-(difluoromethyl)-2-fluorophenyl]-N-[1-[1-[2-(3-methyl-2-oxoimidazolidin-1-yl)pyrimidin-5-yl]ethyl]pyrazol-4-yl]pyrazine-2-carboxamide

6-[3-chloro-6-(difluoromethyl)-2-fluorophenyl]-N-[1-[1-[2-(3-methyl-2-oxoimidazolidin-1-yl)pyrimidin-5-yl]ethyl]pyrazol-4-yl]pyrazine-2-carboxamide (PubChem CID 162520270) has the molecular formula C25H21ClF3N9O2 and a molecular weight of 571.95 g/mol. Its IUPAC name is 6-[3-chloro-6-(difluoromethyl)-2-fluorophenyl]-N-[1-[1-[2-(3-methyl-2-oxoimidazolidin-1-yl)pyrimidin-5-yl]ethyl]pyrazol-4-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-[3-chloro-6-(difluoromethyl)-2-fluorophenyl]-N-[1-[1-[2-(3-methyl-2-oxoimidazolidin-1-yl)pyrimidin-5-yl]ethyl]pyrazol-4-yl]pyrazine-2-carboxamide
PubChem CID162520270
Molecular FormulaC25H21ClF3N9O2
Molecular Weight571.95 g/mol
Exact Mass571.15
IUPAC Name6-[3-chloro-6-(difluoromethyl)-2-fluorophenyl]-N-[1-[1-[2-(3-methyl-2-oxoimidazolidin-1-yl)pyrimidin-5-yl]ethyl]pyrazol-4-yl]pyrazine-2-carboxamide
SMILESCC(c1cnc(N2CCN(C)C2=O)nc1)n1cc(NC(=O)c2cncc(-c3c(C(F)F)ccc(Cl)c3F)n2)cn1
InChIInChI=1S/C25H21ClF3N9O2/c1-13(14-7-31-24(32-8-14)37-6-5-36(2)25(37)40)38-12-15(9-33-38)34-23(39)19-11-30-10-18(35-19)20-16(22(28)29)3-4-17(26)21(20)27/h3-4,7-13,22H,5-6H2,1-2H3,(H,34,39)
InChIKeyXQJAKETWRZIPRV-UHFFFAOYSA-N
XLogP4.59
TPSA122.03 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500571.95
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-[3-chloro-6-(difluoromethyl)-2-fluorophenyl]-N-[1-[1-[2-(3-methyl-2-oxoimidazolidin-1-yl)pyrimidin-5-yl]ethyl]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-[1-[2-(3-methyl-2-oxoimidazolidin-1-yl)pyrimidin-5-yl]ethyl]pyrazol-4-yl]pyrazine-2-carboxamide?
The IUPAC name of 6-[3-chloro-6-(difluoromethyl)-2-fluorophenyl]-N-[1-[1-[2-(3-methyl-2-oxoimidazolidin-1-yl)pyrimidin-5-yl]ethyl]pyrazol-4-yl]pyrazine-2-carboxamide (CID 162520270) is 6-[3-chloro-6-(difluoromethyl)-2-fluorophenyl]-N-[1-[1-[2-(3-methyl-2-oxoimidazolidin-1-yl)pyrimidin-5-yl]ethyl]pyrazol-4-yl]pyrazine-2-carboxamide.
What is the SMILES notation for 6-[3-chloro-6-(difluoromethyl)-2-fluorophenyl]-N-[1-[1-[2-(3-methyl-2-oxoimidazolidin-1-yl)pyrimidin-5-yl]ethyl]pyrazol-4-yl]pyrazine-2-carboxamide?
The canonical SMILES for 6-[3-chloro-6-(difluoromethyl)-2-fluorophenyl]-N-[1-[1-[2-(3-methyl-2-oxoimidazolidin-1-yl)pyrimidin-5-yl]ethyl]pyrazol-4-yl]pyrazine-2-carboxamide is CC(c1cnc(N2CCN(C)C2=O)nc1)n1cc(NC(=O)c2cncc(-c3c(C(F)F)ccc(Cl)c3F)n2)cn1.
What is the InChIKey of 6-[3-chloro-6-(difluoromethyl)-2-fluorophenyl]-N-[1-[1-[2-(3-methyl-2-oxoimidazolidin-1-yl)pyrimidin-5-yl]ethyl]pyrazol-4-yl]pyrazine-2-carboxamide?
The InChIKey is XQJAKETWRZIPRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClF3N9O2/c1-13(14-7-31-24(32-8-14)37-6-5-36(2)25(37)40)38-12-15(9-33-38)34-23(39)19-11-30-10-18(35-19)20-16(22(28)29)3-4-17(26)21(20)27/h3-4,7-13,22H,5-6H2,1-2H3,(H,34,39).
What are the key properties of 6-[3-chloro-6-(difluoromethyl)-2-fluorophenyl]-N-[1-[1-[2-(3-methyl-2-oxoimidazolidin-1-yl)pyrimidin-5-yl]ethyl]pyrazol-4-yl]pyrazine-2-carboxamide?
6-[3-chloro-6-(difluoromethyl)-2-fluorophenyl]-N-[1-[1-[2-(3-methyl-2-oxoimidazolidin-1-yl)pyrimidin-5-yl]ethyl]pyrazol-4-yl]pyrazine-2-carboxamide has a molecular weight of 571.95 g/mol, XLogP of 4.59, 7 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-[1-[2-(3-methyl-2-oxoimidazolidin-1-yl)pyrimidin-5-yl]ethyl]pyrazol-4-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 162520270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).