5-N,7-N-bis[[3-(difluoromethoxy)-4-fluorophenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide

C24H17F6N5O4 — CID 59462890

IUPAC5-N,7-N-bis[[3-(difluoromethoxy)-4-fluorophenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
SMILESO=C(NCc1ccc(F)c(OC(F)F)c1)c1cc(C(=O)NCc2ccc(F)c(OC(F)F)c2)n2nccc2n1
InChIInChI=1S/C24H17F6N5O4/c25-14-3-1-12(7-18(14)38-23(27)28)10-31-21(36)16-9-17(35-20(34-16)5-6-33-35)22(37)32-11-13-2-4-15(26)19(8-13)39-24(29)30/h1-9,23-24H,10-11H2,(H,31,36)(H,32,37)
InChIKeySVHRODKUSSEJKN-UHFFFAOYSA-N
MW553.42 g/mol
LogP4.07
Rot. Bonds10

About 5-N,7-N-bis[[3-(difluoromethoxy)-4-fluorophenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide

5-N,7-N-bis[[3-(difluoromethoxy)-4-fluorophenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide (PubChem CID 59462890) has the molecular formula C24H17F6N5O4 and a molecular weight of 553.42 g/mol. Its IUPAC name is 5-N,7-N-bis[[3-(difluoromethoxy)-4-fluorophenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide.

Molecular Properties

Compound Name5-N,7-N-bis[[3-(difluoromethoxy)-4-fluorophenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
PubChem CID59462890
Molecular FormulaC24H17F6N5O4
Molecular Weight553.42 g/mol
Exact Mass553.12
IUPAC Name5-N,7-N-bis[[3-(difluoromethoxy)-4-fluorophenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
SMILESO=C(NCc1ccc(F)c(OC(F)F)c1)c1cc(C(=O)NCc2ccc(F)c(OC(F)F)c2)n2nccc2n1
InChIInChI=1S/C24H17F6N5O4/c25-14-3-1-12(7-18(14)38-23(27)28)10-31-21(36)16-9-17(35-20(34-16)5-6-33-35)22(37)32-11-13-2-4-15(26)19(8-13)39-24(29)30/h1-9,23-24H,10-11H2,(H,31,36)(H,32,37)
InChIKeySVHRODKUSSEJKN-UHFFFAOYSA-N
XLogP4.07
TPSA106.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500553.42
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-N,7-N-bis[[3-(difluoromethoxy)-4-fluorophenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?
The IUPAC name of 5-N,7-N-bis[[3-(difluoromethoxy)-4-fluorophenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide (CID 59462890) is 5-N,7-N-bis[[3-(difluoromethoxy)-4-fluorophenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide.
What is the SMILES notation for 5-N,7-N-bis[[3-(difluoromethoxy)-4-fluorophenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?
The canonical SMILES for 5-N,7-N-bis[[3-(difluoromethoxy)-4-fluorophenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide is O=C(NCc1ccc(F)c(OC(F)F)c1)c1cc(C(=O)NCc2ccc(F)c(OC(F)F)c2)n2nccc2n1.
What is the InChIKey of 5-N,7-N-bis[[3-(difluoromethoxy)-4-fluorophenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?
The InChIKey is SVHRODKUSSEJKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F6N5O4/c25-14-3-1-12(7-18(14)38-23(27)28)10-31-21(36)16-9-17(35-20(34-16)5-6-33-35)22(37)32-11-13-2-4-15(26)19(8-13)39-24(29)30/h1-9,23-24H,10-11H2,(H,31,36)(H,32,37).
What are the key properties of 5-N,7-N-bis[[3-(difluoromethoxy)-4-fluorophenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?
5-N,7-N-bis[[3-(difluoromethoxy)-4-fluorophenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide has a molecular weight of 553.42 g/mol, XLogP of 4.07, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N,7-N-bis[[3-(difluoromethoxy)-4-fluorophenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide is sourced from PubChem (CID 59462890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).