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

C24H28N6O3 — CID 129284112

IUPACN-(1'-methyl-6-morpholin-4-ylspiro[3H-1-benzofuran-2,4'-piperidine]-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN1CCC2(CC1)Cc1cc(NC(=O)c3cnn4cccnc34)c(N3CCOCC3)cc1O2
InChIInChI=1S/C24H28N6O3/c1-28-7-3-24(4-8-28)15-17-13-19(20(14-21(17)33-24)29-9-11-32-12-10-29)27-23(31)18-16-26-30-6-2-5-25-22(18)30/h2,5-6,13-14,16H,3-4,7-12,15H2,1H3,(H,27,31)
InChIKeyVAFIUWXLNRDXHB-UHFFFAOYSA-N
MW448.53 g/mol
LogP2.22
Rot. Bonds3

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

N-(1'-methyl-6-morpholin-4-ylspiro[3H-1-benzofuran-2,4'-piperidine]-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 129284112) has the molecular formula C24H28N6O3 and a molecular weight of 448.53 g/mol. Its IUPAC name is N-(1'-methyl-6-morpholin-4-ylspiro[3H-1-benzofuran-2,4'-piperidine]-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(1'-methyl-6-morpholin-4-ylspiro[3H-1-benzofuran-2,4'-piperidine]-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID129284112
Molecular FormulaC24H28N6O3
Molecular Weight448.53 g/mol
Exact Mass448.22
IUPAC NameN-(1'-methyl-6-morpholin-4-ylspiro[3H-1-benzofuran-2,4'-piperidine]-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN1CCC2(CC1)Cc1cc(NC(=O)c3cnn4cccnc34)c(N3CCOCC3)cc1O2
InChIInChI=1S/C24H28N6O3/c1-28-7-3-24(4-8-28)15-17-13-19(20(14-21(17)33-24)29-9-11-32-12-10-29)27-23(31)18-16-26-30-6-2-5-25-22(18)30/h2,5-6,13-14,16H,3-4,7-12,15H2,1H3,(H,27,31)
InChIKeyVAFIUWXLNRDXHB-UHFFFAOYSA-N
XLogP2.22
TPSA84.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.53
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(1'-methyl-6-morpholin-4-ylspiro[3H-1-benzofuran-2,4'-piperidine]-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(1'-methyl-6-morpholin-4-ylspiro[3H-1-benzofuran-2,4'-piperidine]-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 129284112) is N-(1'-methyl-6-morpholin-4-ylspiro[3H-1-benzofuran-2,4'-piperidine]-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(1'-methyl-6-morpholin-4-ylspiro[3H-1-benzofuran-2,4'-piperidine]-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(1'-methyl-6-morpholin-4-ylspiro[3H-1-benzofuran-2,4'-piperidine]-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CN1CCC2(CC1)Cc1cc(NC(=O)c3cnn4cccnc34)c(N3CCOCC3)cc1O2.
What is the InChIKey of N-(1'-methyl-6-morpholin-4-ylspiro[3H-1-benzofuran-2,4'-piperidine]-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is VAFIUWXLNRDXHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O3/c1-28-7-3-24(4-8-28)15-17-13-19(20(14-21(17)33-24)29-9-11-32-12-10-29)27-23(31)18-16-26-30-6-2-5-25-22(18)30/h2,5-6,13-14,16H,3-4,7-12,15H2,1H3,(H,27,31).
What are the key properties of N-(1'-methyl-6-morpholin-4-ylspiro[3H-1-benzofuran-2,4'-piperidine]-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-(1'-methyl-6-morpholin-4-ylspiro[3H-1-benzofuran-2,4'-piperidine]-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 448.53 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1'-methyl-6-morpholin-4-ylspiro[3H-1-benzofuran-2,4'-piperidine]-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 129284112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).