N-[1'-(2,2-difluoroethyl)-6-morpholin-4-ylspiro[3H-1-benzofuran-2,3'-azetidine]-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C23H24F2N6O3 — CID 129283939

IUPACN-[1'-(2,2-difluoroethyl)-6-morpholin-4-ylspiro[3H-1-benzofuran-2,3'-azetidine]-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1cc2c(cc1N1CCOCC1)OC1(C2)CN(CC(F)F)C1)c1cnn2cccnc12
InChIInChI=1S/C23H24F2N6O3/c24-20(25)12-29-13-23(14-29)10-15-8-17(18(9-19(15)34-23)30-4-6-33-7-5-30)28-22(32)16-11-27-31-3-1-2-26-21(16)31/h1-3,8-9,11,20H,4-7,10,12-14H2,(H,28,32)
InChIKeyYBLGSHCHFWUSCX-UHFFFAOYSA-N
MW470.48 g/mol
LogP2.07
Rot. Bonds5

About N-[1'-(2,2-difluoroethyl)-6-morpholin-4-ylspiro[3H-1-benzofuran-2,3'-azetidine]-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[1'-(2,2-difluoroethyl)-6-morpholin-4-ylspiro[3H-1-benzofuran-2,3'-azetidine]-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 129283939) has the molecular formula C23H24F2N6O3 and a molecular weight of 470.48 g/mol. Its IUPAC name is N-[1'-(2,2-difluoroethyl)-6-morpholin-4-ylspiro[3H-1-benzofuran-2,3'-azetidine]-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[1'-(2,2-difluoroethyl)-6-morpholin-4-ylspiro[3H-1-benzofuran-2,3'-azetidine]-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID129283939
Molecular FormulaC23H24F2N6O3
Molecular Weight470.48 g/mol
Exact Mass470.19
IUPAC NameN-[1'-(2,2-difluoroethyl)-6-morpholin-4-ylspiro[3H-1-benzofuran-2,3'-azetidine]-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1cc2c(cc1N1CCOCC1)OC1(C2)CN(CC(F)F)C1)c1cnn2cccnc12
InChIInChI=1S/C23H24F2N6O3/c24-20(25)12-29-13-23(14-29)10-15-8-17(18(9-19(15)34-23)30-4-6-33-7-5-30)28-22(32)16-11-27-31-3-1-2-26-21(16)31/h1-3,8-9,11,20H,4-7,10,12-14H2,(H,28,32)
InChIKeyYBLGSHCHFWUSCX-UHFFFAOYSA-N
XLogP2.07
TPSA84.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.48
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[1'-(2,2-difluoroethyl)-6-morpholin-4-ylspiro[3H-1-benzofuran-2,3'-azetidine]-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[1'-(2,2-difluoroethyl)-6-morpholin-4-ylspiro[3H-1-benzofuran-2,3'-azetidine]-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 129283939) is N-[1'-(2,2-difluoroethyl)-6-morpholin-4-ylspiro[3H-1-benzofuran-2,3'-azetidine]-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[1'-(2,2-difluoroethyl)-6-morpholin-4-ylspiro[3H-1-benzofuran-2,3'-azetidine]-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[1'-(2,2-difluoroethyl)-6-morpholin-4-ylspiro[3H-1-benzofuran-2,3'-azetidine]-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(Nc1cc2c(cc1N1CCOCC1)OC1(C2)CN(CC(F)F)C1)c1cnn2cccnc12.
What is the InChIKey of N-[1'-(2,2-difluoroethyl)-6-morpholin-4-ylspiro[3H-1-benzofuran-2,3'-azetidine]-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is YBLGSHCHFWUSCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F2N6O3/c24-20(25)12-29-13-23(14-29)10-15-8-17(18(9-19(15)34-23)30-4-6-33-7-5-30)28-22(32)16-11-27-31-3-1-2-26-21(16)31/h1-3,8-9,11,20H,4-7,10,12-14H2,(H,28,32).
What are the key properties of N-[1'-(2,2-difluoroethyl)-6-morpholin-4-ylspiro[3H-1-benzofuran-2,3'-azetidine]-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[1'-(2,2-difluoroethyl)-6-morpholin-4-ylspiro[3H-1-benzofuran-2,3'-azetidine]-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 470.48 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1'-(2,2-difluoroethyl)-6-morpholin-4-ylspiro[3H-1-benzofuran-2,3'-azetidine]-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 129283939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).