N-[5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazine-2-carboxamide

C17H11ClF2N6O2 — CID 142427539

IUPACN-[5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazine-2-carboxamide
SMILESO=C(Nc1cn[nH]c1-c1cc(Cl)ccc1OC(F)F)c1cnc2[nH]ccc2n1
InChIInChI=1S/C17H11ClF2N6O2/c18-8-1-2-13(28-17(19)20)9(5-8)14-11(7-23-26-14)25-16(27)12-6-22-15-10(24-12)3-4-21-15/h1-7,17H,(H,21,22)(H,23,26)(H,25,27)
InChIKeyVLGTVRUUTFWJMF-UHFFFAOYSA-N
MW404.76 g/mol
LogP3.86
Rot. Bonds5

About N-[5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazine-2-carboxamide

N-[5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazine-2-carboxamide (PubChem CID 142427539) has the molecular formula C17H11ClF2N6O2 and a molecular weight of 404.76 g/mol. Its IUPAC name is N-[5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazine-2-carboxamide
PubChem CID142427539
Molecular FormulaC17H11ClF2N6O2
Molecular Weight404.76 g/mol
Exact Mass404.06
IUPAC NameN-[5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazine-2-carboxamide
SMILESO=C(Nc1cn[nH]c1-c1cc(Cl)ccc1OC(F)F)c1cnc2[nH]ccc2n1
InChIInChI=1S/C17H11ClF2N6O2/c18-8-1-2-13(28-17(19)20)9(5-8)14-11(7-23-26-14)25-16(27)12-6-22-15-10(24-12)3-4-21-15/h1-7,17H,(H,21,22)(H,23,26)(H,25,27)
InChIKeyVLGTVRUUTFWJMF-UHFFFAOYSA-N
XLogP3.86
TPSA108.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.76
LogP ≤ 53.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-(5-Chloro-2-(difluoromethoxy)phenyl)-1-(2-(4-((2-cyanoethyl)(methyl)amino)piperidin-1-yl)-2-oxoethyl)-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 118522534
N-[3-(5-chloro-2-methoxyphenyl)-1-methyl-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 49856845
N-{3-[5-chloro-2-(difluoromethoxy)phenyl]-1-methyl-1H-pyrazol-4-yl}pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 66847152
N-{5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl}pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 118522410
N-(3-(5-chloro-2-cyclopropoxyphenyl)-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 49857621
N-(3-(5-chloro-2-methoxyphenyl)-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 66850618
N-[5-(5-chloro-2-ethoxyphenyl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 70496681
N-[5-[5-cyano-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 70496955
N-[5-[2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 70497218
N-[5-[2-(difluoromethoxy)-5-fluorophenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 70497481
2-amino-N-[5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 118533896
N-[5-[5-bromo-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129164815

Frequently Asked Questions

What is the IUPAC name of N-[5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazine-2-carboxamide?
The IUPAC name of N-[5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazine-2-carboxamide (CID 142427539) is N-[5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazine-2-carboxamide.
What is the SMILES notation for N-[5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazine-2-carboxamide?
The canonical SMILES for N-[5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazine-2-carboxamide is O=C(Nc1cn[nH]c1-c1cc(Cl)ccc1OC(F)F)c1cnc2[nH]ccc2n1.
What is the InChIKey of N-[5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazine-2-carboxamide?
The InChIKey is VLGTVRUUTFWJMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClF2N6O2/c18-8-1-2-13(28-17(19)20)9(5-8)14-11(7-23-26-14)25-16(27)12-6-22-15-10(24-12)3-4-21-15/h1-7,17H,(H,21,22)(H,23,26)(H,25,27).
What are the key properties of N-[5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazine-2-carboxamide?
N-[5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazine-2-carboxamide has a molecular weight of 404.76 g/mol, XLogP of 3.86, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazine-2-carboxamide is sourced from PubChem (CID 142427539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).