5-N-[(3,4-difluorophenyl)methyl]-3-N-phenyl-7-N-[(1S)-5-(2H-tetrazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrazolo[1,5-a]pyrimidine-3,5,7-tricarboxamide

C32H24F2N10O3 — CID 25019416

IUPAC5-N-[(3,4-difluorophenyl)methyl]-3-N-phenyl-7-N-[(1S)-5-(2H-tetrazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrazolo[1,5-a]pyrimidine-3,5,7-tricarboxamide
SMILESO=C(NCc1ccc(F)c(F)c1)c1cc(C(=O)N[C@H]2CCc3cc(-c4nn[nH]n4)ccc32)n2ncc(C(=O)Nc3ccccc3)c2n1
InChIInChI=1S/C32H24F2N10O3/c33-23-10-6-17(12-24(23)34)15-35-31(46)26-14-27(44-29(38-26)22(16-36-44)30(45)37-20-4-2-1-3-5-20)32(47)39-25-11-8-18-13-19(7-9-21(18)25)28-40-42-43-41-28/h1-7,9-10,12-14,16,25H,8,11,15H2,(H,35,46)(H,37,45)(H,39,47)(H,40,41,42,43)/t25-/m0/s1
InChIKeyBTXSJECNSOTZII-VWLOTQADSA-N
MW634.61 g/mol
LogP3.79
Rot. Bonds8

About 5-N-[(3,4-difluorophenyl)methyl]-3-N-phenyl-7-N-[(1S)-5-(2H-tetrazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrazolo[1,5-a]pyrimidine-3,5,7-tricarboxamide

5-N-[(3,4-difluorophenyl)methyl]-3-N-phenyl-7-N-[(1S)-5-(2H-tetrazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrazolo[1,5-a]pyrimidine-3,5,7-tricarboxamide (PubChem CID 25019416) has the molecular formula C32H24F2N10O3 and a molecular weight of 634.61 g/mol. Its IUPAC name is 5-N-[(3,4-difluorophenyl)methyl]-3-N-phenyl-7-N-[(1S)-5-(2H-tetrazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrazolo[1,5-a]pyrimidine-3,5,7-tricarboxamide.

Molecular Properties

Compound Name5-N-[(3,4-difluorophenyl)methyl]-3-N-phenyl-7-N-[(1S)-5-(2H-tetrazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrazolo[1,5-a]pyrimidine-3,5,7-tricarboxamide
PubChem CID25019416
Molecular FormulaC32H24F2N10O3
Molecular Weight634.61 g/mol
Exact Mass634.20
IUPAC Name5-N-[(3,4-difluorophenyl)methyl]-3-N-phenyl-7-N-[(1S)-5-(2H-tetrazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrazolo[1,5-a]pyrimidine-3,5,7-tricarboxamide
SMILESO=C(NCc1ccc(F)c(F)c1)c1cc(C(=O)N[C@H]2CCc3cc(-c4nn[nH]n4)ccc32)n2ncc(C(=O)Nc3ccccc3)c2n1
InChIInChI=1S/C32H24F2N10O3/c33-23-10-6-17(12-24(23)34)15-35-31(46)26-14-27(44-29(38-26)22(16-36-44)30(45)37-20-4-2-1-3-5-20)32(47)39-25-11-8-18-13-19(7-9-21(18)25)28-40-42-43-41-28/h1-7,9-10,12-14,16,25H,8,11,15H2,(H,35,46)(H,37,45)(H,39,47)(H,40,41,42,43)/t25-/m0/s1
InChIKeyBTXSJECNSOTZII-VWLOTQADSA-N
XLogP3.79
TPSA171.95 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms47
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500634.61
LogP ≤ 53.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze 5-N-[(3,4-difluorophenyl)methyl]-3-N-phenyl-7-N-[(1S)-5-(2H-tetrazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrazolo[1,5-a]pyrimidine-3,5,7-tricarboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-N-[(3,4-difluorophenyl)methyl]-3-N-phenyl-7-N-[(1S)-5-(2H-tetrazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrazolo[1,5-a]pyrimidine-3,5,7-tricarboxamide?
The IUPAC name of 5-N-[(3,4-difluorophenyl)methyl]-3-N-phenyl-7-N-[(1S)-5-(2H-tetrazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrazolo[1,5-a]pyrimidine-3,5,7-tricarboxamide (CID 25019416) is 5-N-[(3,4-difluorophenyl)methyl]-3-N-phenyl-7-N-[(1S)-5-(2H-tetrazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrazolo[1,5-a]pyrimidine-3,5,7-tricarboxamide.
What is the SMILES notation for 5-N-[(3,4-difluorophenyl)methyl]-3-N-phenyl-7-N-[(1S)-5-(2H-tetrazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrazolo[1,5-a]pyrimidine-3,5,7-tricarboxamide?
The canonical SMILES for 5-N-[(3,4-difluorophenyl)methyl]-3-N-phenyl-7-N-[(1S)-5-(2H-tetrazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrazolo[1,5-a]pyrimidine-3,5,7-tricarboxamide is O=C(NCc1ccc(F)c(F)c1)c1cc(C(=O)N[C@H]2CCc3cc(-c4nn[nH]n4)ccc32)n2ncc(C(=O)Nc3ccccc3)c2n1.
What is the InChIKey of 5-N-[(3,4-difluorophenyl)methyl]-3-N-phenyl-7-N-[(1S)-5-(2H-tetrazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrazolo[1,5-a]pyrimidine-3,5,7-tricarboxamide?
The InChIKey is BTXSJECNSOTZII-VWLOTQADSA-N. The full InChI is InChI=1S/C32H24F2N10O3/c33-23-10-6-17(12-24(23)34)15-35-31(46)26-14-27(44-29(38-26)22(16-36-44)30(45)37-20-4-2-1-3-5-20)32(47)39-25-11-8-18-13-19(7-9-21(18)25)28-40-42-43-41-28/h1-7,9-10,12-14,16,25H,8,11,15H2,(H,35,46)(H,37,45)(H,39,47)(H,40,41,42,43)/t25-/m0/s1.
What are the key properties of 5-N-[(3,4-difluorophenyl)methyl]-3-N-phenyl-7-N-[(1S)-5-(2H-tetrazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrazolo[1,5-a]pyrimidine-3,5,7-tricarboxamide?
5-N-[(3,4-difluorophenyl)methyl]-3-N-phenyl-7-N-[(1S)-5-(2H-tetrazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrazolo[1,5-a]pyrimidine-3,5,7-tricarboxamide has a molecular weight of 634.61 g/mol, XLogP of 3.79, 8 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[(3,4-difluorophenyl)methyl]-3-N-phenyl-7-N-[(1S)-5-(2H-tetrazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrazolo[1,5-a]pyrimidine-3,5,7-tricarboxamide is sourced from PubChem (CID 25019416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).