5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[2-(methanesulfonamido)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C20H22F2N6O3S — CID 67502512

IUPAC5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[2-(methanesulfonamido)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCS(=O)(=O)NCCNC(=O)c1cnn2ccc(N3CCCC3c3cc(F)ccc3F)nc12
InChIInChI=1S/C20H22F2N6O3S/c1-32(30,31)25-8-7-23-20(29)15-12-24-28-10-6-18(26-19(15)28)27-9-2-3-17(27)14-11-13(21)4-5-16(14)22/h4-6,10-12,17,25H,2-3,7-9H2,1H3,(H,23,29)
InChIKeyVWMOKEZPLSLTCC-UHFFFAOYSA-N
MW464.50 g/mol
LogP1.63
Rot. Bonds7

About 5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[2-(methanesulfonamido)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[2-(methanesulfonamido)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 67502512) has the molecular formula C20H22F2N6O3S and a molecular weight of 464.50 g/mol. Its IUPAC name is 5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[2-(methanesulfonamido)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[2-(methanesulfonamido)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID67502512
Molecular FormulaC20H22F2N6O3S
Molecular Weight464.50 g/mol
Exact Mass464.14
IUPAC Name5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[2-(methanesulfonamido)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCS(=O)(=O)NCCNC(=O)c1cnn2ccc(N3CCCC3c3cc(F)ccc3F)nc12
InChIInChI=1S/C20H22F2N6O3S/c1-32(30,31)25-8-7-23-20(29)15-12-24-28-10-6-18(26-19(15)28)27-9-2-3-17(27)14-11-13(21)4-5-16(14)22/h4-6,10-12,17,25H,2-3,7-9H2,1H3,(H,23,29)
InChIKeyVWMOKEZPLSLTCC-UHFFFAOYSA-N
XLogP1.63
TPSA108.70 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.50
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[2-(methanesulfonamido)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[2-(methanesulfonamido)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 67502512) is 5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[2-(methanesulfonamido)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[2-(methanesulfonamido)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[2-(methanesulfonamido)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CS(=O)(=O)NCCNC(=O)c1cnn2ccc(N3CCCC3c3cc(F)ccc3F)nc12.
What is the InChIKey of 5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[2-(methanesulfonamido)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is VWMOKEZPLSLTCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2N6O3S/c1-32(30,31)25-8-7-23-20(29)15-12-24-28-10-6-18(26-19(15)28)27-9-2-3-17(27)14-11-13(21)4-5-16(14)22/h4-6,10-12,17,25H,2-3,7-9H2,1H3,(H,23,29).
What are the key properties of 5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[2-(methanesulfonamido)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[2-(methanesulfonamido)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 464.50 g/mol, XLogP of 1.63, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[2-(methanesulfonamido)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 67502512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).