N-[6-[[(2R)-1-(2,2-difluoroethyl)pyrrolidin-2-yl]methoxy]-2,2-dimethyl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C24H27F2N5O3 — CID 129297530

IUPACN-[6-[[(2R)-1-(2,2-difluoroethyl)pyrrolidin-2-yl]methoxy]-2,2-dimethyl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(OC[C@H]3CCCN3CC(F)F)cc2O1
InChIInChI=1S/C24H27F2N5O3/c1-24(2)11-15-9-18(29-23(32)17-12-28-31-8-4-6-27-22(17)31)20(10-19(15)34-24)33-14-16-5-3-7-30(16)13-21(25)26/h4,6,8-10,12,16,21H,3,5,7,11,13-14H2,1-2H3,(H,29,32)/t16-/m1/s1
InChIKeyCCPOTZXZVMYTRS-MRXNPFEDSA-N
MW471.51 g/mol
LogP3.80
Rot. Bonds7

About N-[6-[[(2R)-1-(2,2-difluoroethyl)pyrrolidin-2-yl]methoxy]-2,2-dimethyl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[6-[[(2R)-1-(2,2-difluoroethyl)pyrrolidin-2-yl]methoxy]-2,2-dimethyl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 129297530) has the molecular formula C24H27F2N5O3 and a molecular weight of 471.51 g/mol. Its IUPAC name is N-[6-[[(2R)-1-(2,2-difluoroethyl)pyrrolidin-2-yl]methoxy]-2,2-dimethyl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[6-[[(2R)-1-(2,2-difluoroethyl)pyrrolidin-2-yl]methoxy]-2,2-dimethyl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID129297530
Molecular FormulaC24H27F2N5O3
Molecular Weight471.51 g/mol
Exact Mass471.21
IUPAC NameN-[6-[[(2R)-1-(2,2-difluoroethyl)pyrrolidin-2-yl]methoxy]-2,2-dimethyl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(OC[C@H]3CCCN3CC(F)F)cc2O1
InChIInChI=1S/C24H27F2N5O3/c1-24(2)11-15-9-18(29-23(32)17-12-28-31-8-4-6-27-22(17)31)20(10-19(15)34-24)33-14-16-5-3-7-30(16)13-21(25)26/h4,6,8-10,12,16,21H,3,5,7,11,13-14H2,1-2H3,(H,29,32)/t16-/m1/s1
InChIKeyCCPOTZXZVMYTRS-MRXNPFEDSA-N
XLogP3.80
TPSA80.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.51
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[6-[[(2R)-1-(2,2-difluoroethyl)pyrrolidin-2-yl]methoxy]-2,2-dimethyl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[6-[[(2R)-1-(2,2-difluoroethyl)pyrrolidin-2-yl]methoxy]-2,2-dimethyl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 129297530) is N-[6-[[(2R)-1-(2,2-difluoroethyl)pyrrolidin-2-yl]methoxy]-2,2-dimethyl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[6-[[(2R)-1-(2,2-difluoroethyl)pyrrolidin-2-yl]methoxy]-2,2-dimethyl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[6-[[(2R)-1-(2,2-difluoroethyl)pyrrolidin-2-yl]methoxy]-2,2-dimethyl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(OC[C@H]3CCCN3CC(F)F)cc2O1.
What is the InChIKey of N-[6-[[(2R)-1-(2,2-difluoroethyl)pyrrolidin-2-yl]methoxy]-2,2-dimethyl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is CCPOTZXZVMYTRS-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H27F2N5O3/c1-24(2)11-15-9-18(29-23(32)17-12-28-31-8-4-6-27-22(17)31)20(10-19(15)34-24)33-14-16-5-3-7-30(16)13-21(25)26/h4,6,8-10,12,16,21H,3,5,7,11,13-14H2,1-2H3,(H,29,32)/t16-/m1/s1.
What are the key properties of N-[6-[[(2R)-1-(2,2-difluoroethyl)pyrrolidin-2-yl]methoxy]-2,2-dimethyl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[6-[[(2R)-1-(2,2-difluoroethyl)pyrrolidin-2-yl]methoxy]-2,2-dimethyl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 471.51 g/mol, XLogP of 3.80, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[[(2R)-1-(2,2-difluoroethyl)pyrrolidin-2-yl]methoxy]-2,2-dimethyl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 129297530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).