N-[[5-chloro-7-(2H-tetrazol-5-yl)-1-benzofuran-2-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C17H11ClN8O2 — CID 164866489

IUPACN-[[5-chloro-7-(2H-tetrazol-5-yl)-1-benzofuran-2-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(NCc1cc2cc(Cl)cc(-c3nn[nH]n3)c2o1)c1cnn2cccnc12
InChIInChI=1S/C17H11ClN8O2/c18-10-4-9-5-11(28-14(9)12(6-10)15-22-24-25-23-15)7-20-17(27)13-8-21-26-3-1-2-19-16(13)26/h1-6,8H,7H2,(H,20,27)(H,22,23,24,25)
InChIKeySMBDYXWMASWWCH-UHFFFAOYSA-N
MW394.78 g/mol
LogP2.24
Rot. Bonds4

About N-[[5-chloro-7-(2H-tetrazol-5-yl)-1-benzofuran-2-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[[5-chloro-7-(2H-tetrazol-5-yl)-1-benzofuran-2-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 164866489) has the molecular formula C17H11ClN8O2 and a molecular weight of 394.78 g/mol. Its IUPAC name is N-[[5-chloro-7-(2H-tetrazol-5-yl)-1-benzofuran-2-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[[5-chloro-7-(2H-tetrazol-5-yl)-1-benzofuran-2-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID164866489
Molecular FormulaC17H11ClN8O2
Molecular Weight394.78 g/mol
Exact Mass394.07
IUPAC NameN-[[5-chloro-7-(2H-tetrazol-5-yl)-1-benzofuran-2-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(NCc1cc2cc(Cl)cc(-c3nn[nH]n3)c2o1)c1cnn2cccnc12
InChIInChI=1S/C17H11ClN8O2/c18-10-4-9-5-11(28-14(9)12(6-10)15-22-24-25-23-15)7-20-17(27)13-8-21-26-3-1-2-19-16(13)26/h1-6,8H,7H2,(H,20,27)(H,22,23,24,25)
InChIKeySMBDYXWMASWWCH-UHFFFAOYSA-N
XLogP2.24
TPSA126.89 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.78
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

[(2R)-1-methoxypropan-2-yl] 5-chloro-2-[(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)methyl]-1-benzofuran-7-carboxylate
CID 164866793
6-hydroxy-2-[(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)methyl]-1-benzofuran-7-carboxylic acid
CID 164866752
methyl 2-[5-methyl-2-[(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)methyl]-1-benzofuran-7-yl]acetate
CID 164866387
methyl 2-[5-bromo-2-[(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)methyl]-1-benzofuran-7-yl]acetate
CID 164866770
2,2,2-trifluoroethyl 6-fluoro-2-[(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)methyl]-1-benzofuran-7-carboxylate
CID 164866699
2,2,2-trifluoroethyl 5-fluoro-2-[(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)methyl]-1-benzofuran-7-carboxylate
CID 164866505
N-(furan-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1252016
2-[[(2-aminopyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]methyl]-5-chloro-1-benzofuran-7-carboxylic acid
CID 164866828
oxetan-3-yl 5-fluoro-2-[(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)methyl]-1-benzofuran-7-carboxylate
CID 164866823
4-methyl-2-[(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)methyl]-1-benzofuran-7-carboxylic acid
CID 164866538
1,1,1-trifluoropropan-2-yl 6-fluoro-2-[(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)methyl]-1-benzofuran-7-carboxylate
CID 174222328
1,1,1-trifluoropropan-2-yl 5-methoxy-2-[(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)methyl]-1-benzofuran-7-carboxylate
CID 164866638

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-7-(2H-tetrazol-5-yl)-1-benzofuran-2-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[[5-chloro-7-(2H-tetrazol-5-yl)-1-benzofuran-2-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 164866489) is N-[[5-chloro-7-(2H-tetrazol-5-yl)-1-benzofuran-2-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[[5-chloro-7-(2H-tetrazol-5-yl)-1-benzofuran-2-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[[5-chloro-7-(2H-tetrazol-5-yl)-1-benzofuran-2-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(NCc1cc2cc(Cl)cc(-c3nn[nH]n3)c2o1)c1cnn2cccnc12.
What is the InChIKey of N-[[5-chloro-7-(2H-tetrazol-5-yl)-1-benzofuran-2-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is SMBDYXWMASWWCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClN8O2/c18-10-4-9-5-11(28-14(9)12(6-10)15-22-24-25-23-15)7-20-17(27)13-8-21-26-3-1-2-19-16(13)26/h1-6,8H,7H2,(H,20,27)(H,22,23,24,25).
What are the key properties of N-[[5-chloro-7-(2H-tetrazol-5-yl)-1-benzofuran-2-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[[5-chloro-7-(2H-tetrazol-5-yl)-1-benzofuran-2-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 394.78 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-7-(2H-tetrazol-5-yl)-1-benzofuran-2-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 164866489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).