N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-1-(2-oxopiperidin-4-yl)pyrazole-3-carboxamide

C23H29N5O4 — CID 166596423

IUPACN-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-1-(2-oxopiperidin-4-yl)pyrazole-3-carboxamide
SMILESCC1(C)Cc2cc(NC(=O)c3ccn(C4CCNC(=O)C4)n3)c(N3CCOCC3)cc2O1
InChIInChI=1S/C23H29N5O4/c1-23(2)14-15-11-18(19(13-20(15)32-23)27-7-9-31-10-8-27)25-22(30)17-4-6-28(26-17)16-3-5-24-21(29)12-16/h4,6,11,13,16H,3,5,7-10,12,14H2,1-2H3,(H,24,29)(H,25,30)
InChIKeyGDAURIICFLQFPC-UHFFFAOYSA-N
MW439.52 g/mol
LogP2.14
Rot. Bonds4

About N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-1-(2-oxopiperidin-4-yl)pyrazole-3-carboxamide

N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-1-(2-oxopiperidin-4-yl)pyrazole-3-carboxamide (PubChem CID 166596423) has the molecular formula C23H29N5O4 and a molecular weight of 439.52 g/mol. Its IUPAC name is N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-1-(2-oxopiperidin-4-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-1-(2-oxopiperidin-4-yl)pyrazole-3-carboxamide
PubChem CID166596423
Molecular FormulaC23H29N5O4
Molecular Weight439.52 g/mol
Exact Mass439.22
IUPAC NameN-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-1-(2-oxopiperidin-4-yl)pyrazole-3-carboxamide
SMILESCC1(C)Cc2cc(NC(=O)c3ccn(C4CCNC(=O)C4)n3)c(N3CCOCC3)cc2O1
InChIInChI=1S/C23H29N5O4/c1-23(2)14-15-11-18(19(13-20(15)32-23)27-7-9-31-10-8-27)25-22(30)17-4-6-28(26-17)16-3-5-24-21(29)12-16/h4,6,11,13,16H,3,5,7-10,12,14H2,1-2H3,(H,24,29)(H,25,30)
InChIKeyGDAURIICFLQFPC-UHFFFAOYSA-N
XLogP2.14
TPSA97.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.52
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-1-(2-oxopiperidin-4-yl)pyrazole-3-carboxamide?
The IUPAC name of N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-1-(2-oxopiperidin-4-yl)pyrazole-3-carboxamide (CID 166596423) is N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-1-(2-oxopiperidin-4-yl)pyrazole-3-carboxamide.
What is the SMILES notation for N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-1-(2-oxopiperidin-4-yl)pyrazole-3-carboxamide?
The canonical SMILES for N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-1-(2-oxopiperidin-4-yl)pyrazole-3-carboxamide is CC1(C)Cc2cc(NC(=O)c3ccn(C4CCNC(=O)C4)n3)c(N3CCOCC3)cc2O1.
What is the InChIKey of N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-1-(2-oxopiperidin-4-yl)pyrazole-3-carboxamide?
The InChIKey is GDAURIICFLQFPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O4/c1-23(2)14-15-11-18(19(13-20(15)32-23)27-7-9-31-10-8-27)25-22(30)17-4-6-28(26-17)16-3-5-24-21(29)12-16/h4,6,11,13,16H,3,5,7-10,12,14H2,1-2H3,(H,24,29)(H,25,30).
What are the key properties of N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-1-(2-oxopiperidin-4-yl)pyrazole-3-carboxamide?
N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-1-(2-oxopiperidin-4-yl)pyrazole-3-carboxamide has a molecular weight of 439.52 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-1-(2-oxopiperidin-4-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 166596423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).