N-[2-(hydroxymethyl)-2-methyl-6-[(1R,4R)-5-(2,2,2-trifluoroethyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C24H25F3N6O3 — CID 129284310

IUPACN-[2-(hydroxymethyl)-2-methyl-6-[(1R,4R)-5-(2,2,2-trifluoroethyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC1(CO)Cc2cc(NC(=O)c3cnn4cccnc34)c(N3C[C@H]4C[C@@H]3CN4CC(F)(F)F)cc2O1
InChIInChI=1S/C24H25F3N6O3/c1-23(13-34)8-14-5-18(30-22(35)17-9-29-33-4-2-3-28-21(17)33)19(7-20(14)36-23)32-11-15-6-16(32)10-31(15)12-24(25,26)27/h2-5,7,9,15-16,34H,6,8,10-13H2,1H3,(H,30,35)/t15-,16-,23?/m1/s1
InChIKeyISYXDVZZKVYRJN-LHVRJDQKSA-N
MW502.50 g/mol
LogP2.49
Rot. Bonds5

About N-[2-(hydroxymethyl)-2-methyl-6-[(1R,4R)-5-(2,2,2-trifluoroethyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[2-(hydroxymethyl)-2-methyl-6-[(1R,4R)-5-(2,2,2-trifluoroethyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 129284310) has the molecular formula C24H25F3N6O3 and a molecular weight of 502.50 g/mol. Its IUPAC name is N-[2-(hydroxymethyl)-2-methyl-6-[(1R,4R)-5-(2,2,2-trifluoroethyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(hydroxymethyl)-2-methyl-6-[(1R,4R)-5-(2,2,2-trifluoroethyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID129284310
Molecular FormulaC24H25F3N6O3
Molecular Weight502.50 g/mol
Exact Mass502.19
IUPAC NameN-[2-(hydroxymethyl)-2-methyl-6-[(1R,4R)-5-(2,2,2-trifluoroethyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC1(CO)Cc2cc(NC(=O)c3cnn4cccnc34)c(N3C[C@H]4C[C@@H]3CN4CC(F)(F)F)cc2O1
InChIInChI=1S/C24H25F3N6O3/c1-23(13-34)8-14-5-18(30-22(35)17-9-29-33-4-2-3-28-21(17)33)19(7-20(14)36-23)32-11-15-6-16(32)10-31(15)12-24(25,26)27/h2-5,7,9,15-16,34H,6,8,10-13H2,1H3,(H,30,35)/t15-,16-,23?/m1/s1
InChIKeyISYXDVZZKVYRJN-LHVRJDQKSA-N
XLogP2.49
TPSA95.23 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.50
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[2-(hydroxymethyl)-2-methyl-6-[(1R,4R)-5-(2,2,2-trifluoroethyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

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Related Compounds

N-[(2S)-6-[(1R,4R)-5-(2,2-difluoroethyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-(hydroxymethyl)-2-methyl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129284501
N-[(2S)-2-(hydroxymethyl)-2-methyl-6-[(1R)-2-oxa-5-azabicyclo[2.2.0]hexan-5-yl]-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129297330
N-[(2S)-2-(hydroxymethyl)-2-methyl-6-[(4R)-2-oxa-5-azabicyclo[2.2.0]hexan-5-yl]-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129297327
N-[(2S)-6-[(4S)-5-(2,2-difluoroethyl)-2,5-diazabicyclo[2.2.0]hexan-2-yl]-2-(hydroxymethyl)-2-methyl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129297509
(E)-3-amino-N-[(2R)-2-(hydroxymethyl)-2-methyl-6-[(1S,4S)-5-(2,2,2-trifluoroethyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3H-1-benzofuran-5-yl]-2-pyrimidin-2-ylprop-2-enamide
CID 156678189
N-[2-(hydroxymethyl)-6-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-2-methyl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 135354418
N-[(2S)-6-[4-fluoro-4-(hydroxymethyl)piperidin-1-yl]-2-(hydroxymethyl)-2-methyl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129283946
N-[(2S)-6-[(4R)-4-hydroxyazepan-1-yl]-2-(hydroxymethyl)-2-methyl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129297064
2-[(2R)-2-(hydroxymethyl)-2-methyl-6-[(1R,4R)-5-(2,2,2-trifluoroethyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 140929451
N-[(2R)-2-(hydroxymethyl)-6-[(4R)-4-hydroxy-4-methylazepan-1-yl]-2-methyl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(2R)-2-(hydroxymethyl)-6-[(4S)-4-hydroxy-4-methylazepan-1-yl]-2-methyl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 159283697
N-[(2R)-6-[4-(2-amino-2-hydroxyethyl)piperidin-1-yl]-2-(hydroxymethyl)-2-methyl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129297980
N-[(2R)-2-ethyl-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129284178

Frequently Asked Questions

What is the IUPAC name of N-[2-(hydroxymethyl)-2-methyl-6-[(1R,4R)-5-(2,2,2-trifluoroethyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[2-(hydroxymethyl)-2-methyl-6-[(1R,4R)-5-(2,2,2-trifluoroethyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 129284310) is N-[2-(hydroxymethyl)-2-methyl-6-[(1R,4R)-5-(2,2,2-trifluoroethyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[2-(hydroxymethyl)-2-methyl-6-[(1R,4R)-5-(2,2,2-trifluoroethyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[2-(hydroxymethyl)-2-methyl-6-[(1R,4R)-5-(2,2,2-trifluoroethyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CC1(CO)Cc2cc(NC(=O)c3cnn4cccnc34)c(N3C[C@H]4C[C@@H]3CN4CC(F)(F)F)cc2O1.
What is the InChIKey of N-[2-(hydroxymethyl)-2-methyl-6-[(1R,4R)-5-(2,2,2-trifluoroethyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is ISYXDVZZKVYRJN-LHVRJDQKSA-N. The full InChI is InChI=1S/C24H25F3N6O3/c1-23(13-34)8-14-5-18(30-22(35)17-9-29-33-4-2-3-28-21(17)33)19(7-20(14)36-23)32-11-15-6-16(32)10-31(15)12-24(25,26)27/h2-5,7,9,15-16,34H,6,8,10-13H2,1H3,(H,30,35)/t15-,16-,23?/m1/s1.
What are the key properties of N-[2-(hydroxymethyl)-2-methyl-6-[(1R,4R)-5-(2,2,2-trifluoroethyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[2-(hydroxymethyl)-2-methyl-6-[(1R,4R)-5-(2,2,2-trifluoroethyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 502.50 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(hydroxymethyl)-2-methyl-6-[(1R,4R)-5-(2,2,2-trifluoroethyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 129284310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).