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

C23H24F2N6O3 — CID 129297509

IUPACN-[(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
SMILESC[C@@]1(CO)Cc2cc(NC(=O)c3cnn4cccnc34)c(N3C[C@H]4C3CN4CC(F)F)cc2O1
InChIInChI=1S/C23H24F2N6O3/c1-23(12-32)7-13-5-15(28-22(33)14-8-27-31-4-2-3-26-21(14)31)16(6-19(13)34-23)30-10-17-18(30)9-29(17)11-20(24)25/h2-6,8,17-18,20,32H,7,9-12H2,1H3,(H,28,33)/t17-,18?,23-/m0/s1
InChIKeyFDEPCHTWZZDEPI-IYWNWZSTSA-N
MW470.48 g/mol
LogP1.81
Rot. Bonds6

About 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

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 (PubChem CID 129297509) has the molecular formula C23H24F2N6O3 and a molecular weight of 470.48 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[(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
PubChem CID129297509
Molecular FormulaC23H24F2N6O3
Molecular Weight470.48 g/mol
Exact Mass470.19
IUPAC NameN-[(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
SMILESC[C@@]1(CO)Cc2cc(NC(=O)c3cnn4cccnc34)c(N3C[C@H]4C3CN4CC(F)F)cc2O1
InChIInChI=1S/C23H24F2N6O3/c1-23(12-32)7-13-5-15(28-22(33)14-8-27-31-4-2-3-26-21(14)31)16(6-19(13)34-23)30-10-17-18(30)9-29(17)11-20(24)25/h2-6,8,17-18,20,32H,7,9-12H2,1H3,(H,28,33)/t17-,18?,23-/m0/s1
InChIKeyFDEPCHTWZZDEPI-IYWNWZSTSA-N
XLogP1.81
TPSA95.23 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.48
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 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 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-[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
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
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-[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-[(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
N-(2-ethyl-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129284180
N-[(2S)-6-[4-(2,2-difluoroethyl)piperazin-1-yl]-2-(hydroxymethyl)-2-(trifluoromethyl)-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129284623

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C[C@@]1(CO)Cc2cc(NC(=O)c3cnn4cccnc34)c(N3C[C@H]4C3CN4CC(F)F)cc2O1.
What is the InChIKey of 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?
The InChIKey is FDEPCHTWZZDEPI-IYWNWZSTSA-N. The full InChI is InChI=1S/C23H24F2N6O3/c1-23(12-32)7-13-5-15(28-22(33)14-8-27-31-4-2-3-26-21(14)31)16(6-19(13)34-23)30-10-17-18(30)9-29(17)11-20(24)25/h2-6,8,17-18,20,32H,7,9-12H2,1H3,(H,28,33)/t17-,18?,23-/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 470.48 g/mol, XLogP of 1.81, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 129297509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).