N-[(2S)-2-(hydroxymethyl)-6-[4-(hydroxymethyl)piperidin-1-yl]-2-(trifluoromethyl)-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(2R)-2-(hydroxymethyl)-6-[4-(hydroxymethyl)piperidin-1-yl]-2-(trifluoromethyl)-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C46H48F6N10O8 — CID 145338359

IUPACN-[(2S)-2-(hydroxymethyl)-6-[4-(hydroxymethyl)piperidin-1-yl]-2-(trifluoromethyl)-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(2R)-2-(hydroxymethyl)-6-[4-(hydroxymethyl)piperidin-1-yl]-2-(trifluoromethyl)-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1cc2c(cc1N1CCC(CO)CC1)O[C@@](CO)(C(F)(F)F)C2)c1cnn2cccnc12.O=C(Nc1cc2c(cc1N1CCC(CO)CC1)O[C@](CO)(C(F)(F)F)C2)c1cnn2cccnc12
InChIInChI=1S/2C23H24F3N5O4/c2*24-23(25,26)22(13-33)10-15-8-17(29-21(34)16-11-28-31-5-1-4-27-20(16)31)18(9-19(15)35-22)30-6-2-14(12-32)3-7-30/h2*1,4-5,8-9,11,14,32-33H,2-3,6-7,10,12-13H2,(H,29,34)/t2*22-/m10/s1
InChIKeyCZJLFWLFNKFSQX-IKXJNKEISA-N
MW982.94 g/mol
LogP4.84
Rot. Bonds10

About N-[(2S)-2-(hydroxymethyl)-6-[4-(hydroxymethyl)piperidin-1-yl]-2-(trifluoromethyl)-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(2R)-2-(hydroxymethyl)-6-[4-(hydroxymethyl)piperidin-1-yl]-2-(trifluoromethyl)-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[(2S)-2-(hydroxymethyl)-6-[4-(hydroxymethyl)piperidin-1-yl]-2-(trifluoromethyl)-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(2R)-2-(hydroxymethyl)-6-[4-(hydroxymethyl)piperidin-1-yl]-2-(trifluoromethyl)-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 145338359) has the molecular formula C46H48F6N10O8 and a molecular weight of 982.94 g/mol. Its IUPAC name is N-[(2S)-2-(hydroxymethyl)-6-[4-(hydroxymethyl)piperidin-1-yl]-2-(trifluoromethyl)-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(2R)-2-(hydroxymethyl)-6-[4-(hydroxymethyl)piperidin-1-yl]-2-(trifluoromethyl)-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-(hydroxymethyl)-6-[4-(hydroxymethyl)piperidin-1-yl]-2-(trifluoromethyl)-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(2R)-2-(hydroxymethyl)-6-[4-(hydroxymethyl)piperidin-1-yl]-2-(trifluoromethyl)-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID145338359
Molecular FormulaC46H48F6N10O8
Molecular Weight982.94 g/mol
Exact Mass982.36
IUPAC NameN-[(2S)-2-(hydroxymethyl)-6-[4-(hydroxymethyl)piperidin-1-yl]-2-(trifluoromethyl)-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(2R)-2-(hydroxymethyl)-6-[4-(hydroxymethyl)piperidin-1-yl]-2-(trifluoromethyl)-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1cc2c(cc1N1CCC(CO)CC1)O[C@@](CO)(C(F)(F)F)C2)c1cnn2cccnc12.O=C(Nc1cc2c(cc1N1CCC(CO)CC1)O[C@](CO)(C(F)(F)F)C2)c1cnn2cccnc12
InChIInChI=1S/2C23H24F3N5O4/c2*24-23(25,26)22(13-33)10-15-8-17(29-21(34)16-11-28-31-5-1-4-27-20(16)31)18(9-19(15)35-22)30-6-2-14(12-32)3-7-30/h2*1,4-5,8-9,11,14,32-33H,2-3,6-7,10,12-13H2,(H,29,34)/t2*22-/m10/s1
InChIKeyCZJLFWLFNKFSQX-IKXJNKEISA-N
XLogP4.84
TPSA224.44 Ų
H-Bond Donors6
H-Bond Acceptors16
Rotatable Bonds10
Heavy Atoms70
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500982.94
LogP ≤ 54.84
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1016

Analyze N-[(2S)-2-(hydroxymethyl)-6-[4-(hydroxymethyl)piperidin-1-yl]-2-(trifluoromethyl)-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(2R)-2-(hydroxymethyl)-6-[4-(hydroxymethyl)piperidin-1-yl]-2-(trifluoromethyl)-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

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Related Compounds

N-[(2R)-2-(hydroxymethyl)-2-methyl-6-(morpholin-4-yl)-2,3-dihydro-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129284345
N-[2,2-dimethyl-6-(morpholin-4-yl)-2,3-dihydro-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129284442
N-[6-[4-(2-amino-2-oxoethyl)piperazin-1-yl]-2,2-dimethyl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129284078
N-(1'-methyl-6-morpholin-4-ylspiro[3H-1-benzofuran-2,4'-piperidine]-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129284112
N-[(2S)-2-(2-hydroxypropan-2-yl)-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129284254
N-[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2,2-dimethyl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129284395
3-N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)pyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide
CID 129284483
N-[(2S)-2-(hydroxymethyl)-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129284574
N-(2,2-dimethyl-6-piperazin-1-yl-3H-1-benzofuran-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129284575
N-[6-[4-(hydroxymethyl)piperidin-1-yl]-2,2-dimethyl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129284658
6-(difluoromethyl)-N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129284679
6-(difluoromethoxy)-N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129284701

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(hydroxymethyl)-6-[4-(hydroxymethyl)piperidin-1-yl]-2-(trifluoromethyl)-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(2R)-2-(hydroxymethyl)-6-[4-(hydroxymethyl)piperidin-1-yl]-2-(trifluoromethyl)-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[(2S)-2-(hydroxymethyl)-6-[4-(hydroxymethyl)piperidin-1-yl]-2-(trifluoromethyl)-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(2R)-2-(hydroxymethyl)-6-[4-(hydroxymethyl)piperidin-1-yl]-2-(trifluoromethyl)-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 145338359) is N-[(2S)-2-(hydroxymethyl)-6-[4-(hydroxymethyl)piperidin-1-yl]-2-(trifluoromethyl)-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(2R)-2-(hydroxymethyl)-6-[4-(hydroxymethyl)piperidin-1-yl]-2-(trifluoromethyl)-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[(2S)-2-(hydroxymethyl)-6-[4-(hydroxymethyl)piperidin-1-yl]-2-(trifluoromethyl)-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(2R)-2-(hydroxymethyl)-6-[4-(hydroxymethyl)piperidin-1-yl]-2-(trifluoromethyl)-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[(2S)-2-(hydroxymethyl)-6-[4-(hydroxymethyl)piperidin-1-yl]-2-(trifluoromethyl)-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(2R)-2-(hydroxymethyl)-6-[4-(hydroxymethyl)piperidin-1-yl]-2-(trifluoromethyl)-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(Nc1cc2c(cc1N1CCC(CO)CC1)O[C@@](CO)(C(F)(F)F)C2)c1cnn2cccnc12.O=C(Nc1cc2c(cc1N1CCC(CO)CC1)O[C@](CO)(C(F)(F)F)C2)c1cnn2cccnc12.
What is the InChIKey of N-[(2S)-2-(hydroxymethyl)-6-[4-(hydroxymethyl)piperidin-1-yl]-2-(trifluoromethyl)-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(2R)-2-(hydroxymethyl)-6-[4-(hydroxymethyl)piperidin-1-yl]-2-(trifluoromethyl)-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is CZJLFWLFNKFSQX-IKXJNKEISA-N. The full InChI is InChI=1S/2C23H24F3N5O4/c2*24-23(25,26)22(13-33)10-15-8-17(29-21(34)16-11-28-31-5-1-4-27-20(16)31)18(9-19(15)35-22)30-6-2-14(12-32)3-7-30/h2*1,4-5,8-9,11,14,32-33H,2-3,6-7,10,12-13H2,(H,29,34)/t2*22-/m10/s1.
What are the key properties of N-[(2S)-2-(hydroxymethyl)-6-[4-(hydroxymethyl)piperidin-1-yl]-2-(trifluoromethyl)-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(2R)-2-(hydroxymethyl)-6-[4-(hydroxymethyl)piperidin-1-yl]-2-(trifluoromethyl)-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[(2S)-2-(hydroxymethyl)-6-[4-(hydroxymethyl)piperidin-1-yl]-2-(trifluoromethyl)-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(2R)-2-(hydroxymethyl)-6-[4-(hydroxymethyl)piperidin-1-yl]-2-(trifluoromethyl)-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 982.94 g/mol, XLogP of 4.84, 10 rotatable bonds, 6 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(hydroxymethyl)-6-[4-(hydroxymethyl)piperidin-1-yl]-2-(trifluoromethyl)-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(2R)-2-(hydroxymethyl)-6-[4-(hydroxymethyl)piperidin-1-yl]-2-(trifluoromethyl)-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 145338359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).