N-[6-(2,2-difluoroethoxy)-1'-methylspiro[4,5-dihydro-3H-1-benzofuran-2,4'-piperidine]-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C22H25F2N5O3 — CID 129297570

IUPACN-[6-(2,2-difluoroethoxy)-1'-methylspiro[4,5-dihydro-3H-1-benzofuran-2,4'-piperidine]-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN1CCC2(CC1)CC1=C(C=C(OCC(F)F)C(NC(=O)c3cnn4cccnc34)C1)O2
InChIInChI=1S/C22H25F2N5O3/c1-28-7-3-22(4-8-28)11-14-9-16(18(10-17(14)32-22)31-13-19(23)24)27-21(30)15-12-26-29-6-2-5-25-20(15)29/h2,5-6,10,12,16,19H,3-4,7-9,11,13H2,1H3,(H,27,30)
InChIKeyVRRNQIREENYFQC-UHFFFAOYSA-N
MW445.47 g/mol
LogP2.54
Rot. Bonds5

About N-[6-(2,2-difluoroethoxy)-1'-methylspiro[4,5-dihydro-3H-1-benzofuran-2,4'-piperidine]-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[6-(2,2-difluoroethoxy)-1'-methylspiro[4,5-dihydro-3H-1-benzofuran-2,4'-piperidine]-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 129297570) has the molecular formula C22H25F2N5O3 and a molecular weight of 445.47 g/mol. Its IUPAC name is N-[6-(2,2-difluoroethoxy)-1'-methylspiro[4,5-dihydro-3H-1-benzofuran-2,4'-piperidine]-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[6-(2,2-difluoroethoxy)-1'-methylspiro[4,5-dihydro-3H-1-benzofuran-2,4'-piperidine]-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID129297570
Molecular FormulaC22H25F2N5O3
Molecular Weight445.47 g/mol
Exact Mass445.19
IUPAC NameN-[6-(2,2-difluoroethoxy)-1'-methylspiro[4,5-dihydro-3H-1-benzofuran-2,4'-piperidine]-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN1CCC2(CC1)CC1=C(C=C(OCC(F)F)C(NC(=O)c3cnn4cccnc34)C1)O2
InChIInChI=1S/C22H25F2N5O3/c1-28-7-3-22(4-8-28)11-14-9-16(18(10-17(14)32-22)31-13-19(23)24)27-21(30)15-12-26-29-6-2-5-25-20(15)29/h2,5-6,10,12,16,19H,3-4,7-9,11,13H2,1H3,(H,27,30)
InChIKeyVRRNQIREENYFQC-UHFFFAOYSA-N
XLogP2.54
TPSA80.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.47
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[6-(2,2-difluoroethoxy)-1'-methylspiro[4,5-dihydro-3H-1-benzofuran-2,4'-piperidine]-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[6-(2,2-difluoroethoxy)-1'-methylspiro[4,5-dihydro-3H-1-benzofuran-2,4'-piperidine]-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[6-(2,2-difluoroethoxy)-1'-methylspiro[4,5-dihydro-3H-1-benzofuran-2,4'-piperidine]-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 129297570) is N-[6-(2,2-difluoroethoxy)-1'-methylspiro[4,5-dihydro-3H-1-benzofuran-2,4'-piperidine]-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[6-(2,2-difluoroethoxy)-1'-methylspiro[4,5-dihydro-3H-1-benzofuran-2,4'-piperidine]-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[6-(2,2-difluoroethoxy)-1'-methylspiro[4,5-dihydro-3H-1-benzofuran-2,4'-piperidine]-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CN1CCC2(CC1)CC1=C(C=C(OCC(F)F)C(NC(=O)c3cnn4cccnc34)C1)O2.
What is the InChIKey of N-[6-(2,2-difluoroethoxy)-1'-methylspiro[4,5-dihydro-3H-1-benzofuran-2,4'-piperidine]-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is VRRNQIREENYFQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F2N5O3/c1-28-7-3-22(4-8-28)11-14-9-16(18(10-17(14)32-22)31-13-19(23)24)27-21(30)15-12-26-29-6-2-5-25-20(15)29/h2,5-6,10,12,16,19H,3-4,7-9,11,13H2,1H3,(H,27,30).
What are the key properties of N-[6-(2,2-difluoroethoxy)-1'-methylspiro[4,5-dihydro-3H-1-benzofuran-2,4'-piperidine]-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[6-(2,2-difluoroethoxy)-1'-methylspiro[4,5-dihydro-3H-1-benzofuran-2,4'-piperidine]-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 445.47 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2,2-difluoroethoxy)-1'-methylspiro[4,5-dihydro-3H-1-benzofuran-2,4'-piperidine]-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 129297570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).