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

C23H25N5O4 — CID 166596380

IUPACN-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-1-(6-oxo-3H-pyridin-3-yl)pyrazole-3-carboxamide
SMILESCC1(C)Cc2cc(NC(=O)c3ccn(C4C=CC(=O)N=C4)n3)c(N3CCOCC3)cc2O1
InChIInChI=1S/C23H25N5O4/c1-23(2)13-15-11-18(19(12-20(15)32-23)27-7-9-31-10-8-27)25-22(30)17-5-6-28(26-17)16-3-4-21(29)24-14-16/h3-6,11-12,14,16H,7-10,13H2,1-2H3,(H,25,30)
InChIKeyKKWOEPQDXRLUNP-UHFFFAOYSA-N
MW435.48 g/mol
LogP2.39
Rot. Bonds4

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

N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-1-(6-oxo-3H-pyridin-3-yl)pyrazole-3-carboxamide (PubChem CID 166596380) has the molecular formula C23H25N5O4 and a molecular weight of 435.48 g/mol. Its IUPAC name is N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-1-(6-oxo-3H-pyridin-3-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-1-(6-oxo-3H-pyridin-3-yl)pyrazole-3-carboxamide
PubChem CID166596380
Molecular FormulaC23H25N5O4
Molecular Weight435.48 g/mol
Exact Mass435.19
IUPAC NameN-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-1-(6-oxo-3H-pyridin-3-yl)pyrazole-3-carboxamide
SMILESCC1(C)Cc2cc(NC(=O)c3ccn(C4C=CC(=O)N=C4)n3)c(N3CCOCC3)cc2O1
InChIInChI=1S/C23H25N5O4/c1-23(2)13-15-11-18(19(12-20(15)32-23)27-7-9-31-10-8-27)25-22(30)17-5-6-28(26-17)16-3-4-21(29)24-14-16/h3-6,11-12,14,16H,7-10,13H2,1-2H3,(H,25,30)
InChIKeyKKWOEPQDXRLUNP-UHFFFAOYSA-N
XLogP2.39
TPSA98.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.48
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

Temanogrel
CID 25177971
N-[3-(2-Methyl-2H-pyrazol-3-yl)-4-(2-morpholin-4-yl-ethoxy)-phenyl]-3-trifluoromethyl-benzamide
CID 46833075
4-Fluoro-N-[3-(2-methyl-2H-pyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)-phenyl]-benzamide
CID 11531941
3-Fluoro-N-[3-(2-methyl-2H-pyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)-phenyl]-benzamide
CID 11553617
Benzamide, 3-methoxy-N-[3-(1-methyl-1H-pyrazol-5-yl)-4-[2-(4-morpholinyl)ethoxy]phenyl]-
CID 11604525
N-{4-[2-(4-Acetylpiperazin-1-yl)ethoxy]-3-(1-methyl-1H-pyrazol-5-yl)phenyl}-3-fluorobenzamide
CID 11655664
N-{4-[2-(4-Acetylpiperazin-1-yl)ethoxy]-3-(1-methyl-1H-pyrazol-5-yl)phenyl}-3-methoxybenzamide
CID 11698617
2,4-Difluoro-N-[3-(2-Methyl-2H-pyrazol-3-yl)-4-(2-morpholin-4-yl-ethoxy)-phenyl]-benzamide
CID 46833073
3,4-Difluoro-N-[3-(2-methyl-2H-pyrazol-3-yl)-4-(2-morpholin-4-yl-ethoxy)-phenyl]-benzamide
CID 46833076
N-{3-(2-Methyl-2H-pyrazol-3-yl)-4-[2-(3-oxo-piperazin-1-yl)-ethoxy]-phenyl}-3-trifluoromethyl-benzamide
CID 46833077
N-{4-[2-(4-Acetylpiperazin-1-yl)ethoxy]-3-(1-methyl-1H-pyrazol-5-yl)phenyl}-3-(trifluoromethyl)benzamide
CID 46833371
4-{2-[4-(3-Methoxy-benzoylamino)-2-(2-methyl-2H-pyrazol-3-yl)-phenoxy]-ethyl}-piperazine-1-carboxylicAcid Amide
CID 46833373

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-1-(6-oxo-3H-pyridin-3-yl)pyrazole-3-carboxamide?
The IUPAC name of N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-1-(6-oxo-3H-pyridin-3-yl)pyrazole-3-carboxamide (CID 166596380) is N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-1-(6-oxo-3H-pyridin-3-yl)pyrazole-3-carboxamide.
What is the SMILES notation for N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-1-(6-oxo-3H-pyridin-3-yl)pyrazole-3-carboxamide?
The canonical SMILES for N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-1-(6-oxo-3H-pyridin-3-yl)pyrazole-3-carboxamide is CC1(C)Cc2cc(NC(=O)c3ccn(C4C=CC(=O)N=C4)n3)c(N3CCOCC3)cc2O1.
What is the InChIKey of N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-1-(6-oxo-3H-pyridin-3-yl)pyrazole-3-carboxamide?
The InChIKey is KKWOEPQDXRLUNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O4/c1-23(2)13-15-11-18(19(12-20(15)32-23)27-7-9-31-10-8-27)25-22(30)17-5-6-28(26-17)16-3-4-21(29)24-14-16/h3-6,11-12,14,16H,7-10,13H2,1-2H3,(H,25,30).
What are the key properties of N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-1-(6-oxo-3H-pyridin-3-yl)pyrazole-3-carboxamide?
N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-1-(6-oxo-3H-pyridin-3-yl)pyrazole-3-carboxamide has a molecular weight of 435.48 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 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-(6-oxo-3H-pyridin-3-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 166596380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).