5,7-dimethyl-6-[3-oxo-3-[(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)amino]propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C23H29N5O3 — CID 55844840

IUPAC5,7-dimethyl-6-[3-oxo-3-[(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)amino]propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cc2c(o1)CC(C)(C)CC2NC(=O)CCc1c(C)nc2c(C(N)=O)cnn2c1C
InChIInChI=1S/C23H29N5O3/c1-12-8-16-18(9-23(4,5)10-19(16)31-12)27-20(29)7-6-15-13(2)26-22-17(21(24)30)11-25-28(22)14(15)3/h8,11,18H,6-7,9-10H2,1-5H3,(H2,24,30)(H,27,29)
InChIKeyVZARXLYMDFLGIW-UHFFFAOYSA-N
MW423.52 g/mol
LogP3.11
Rot. Bonds5

About 5,7-dimethyl-6-[3-oxo-3-[(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)amino]propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

5,7-dimethyl-6-[3-oxo-3-[(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)amino]propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 55844840) has the molecular formula C23H29N5O3 and a molecular weight of 423.52 g/mol. Its IUPAC name is 5,7-dimethyl-6-[3-oxo-3-[(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)amino]propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5,7-dimethyl-6-[3-oxo-3-[(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)amino]propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID55844840
Molecular FormulaC23H29N5O3
Molecular Weight423.52 g/mol
Exact Mass423.23
IUPAC Name5,7-dimethyl-6-[3-oxo-3-[(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)amino]propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cc2c(o1)CC(C)(C)CC2NC(=O)CCc1c(C)nc2c(C(N)=O)cnn2c1C
InChIInChI=1S/C23H29N5O3/c1-12-8-16-18(9-23(4,5)10-19(16)31-12)27-20(29)7-6-15-13(2)26-22-17(21(24)30)11-25-28(22)14(15)3/h8,11,18H,6-7,9-10H2,1-5H3,(H2,24,30)(H,27,29)
InChIKeyVZARXLYMDFLGIW-UHFFFAOYSA-N
XLogP3.11
TPSA115.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.52
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5,7-dimethyl-6-[3-oxo-3-[(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)amino]propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

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Related Compounds

5-(furan-2-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 17020671
5-(2-furyl)-N-(3-methylbutyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 3242814
N-(furan-2-ylmethyl)-5,7-dimethyl-6-[(2,4,6-trimethylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 5103720
3-[2-(3-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-[4-(furan-2-yl)butan-2-yl]propanamide
CID 5307926
3-(4-fluorophenyl)-2,7-dimethyl-N-[(5-methyl-2-furyl)methyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 16026045
2,7-dimethyl-N-[(5-methylfuran-2-yl)methyl]-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 16026105
3-[3-(4-fluorophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-[4-(furan-2-yl)butan-2-yl]propanamide
CID 5308963
N-(furan-2-ylmethyl)-2,7-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 16026079
N-cyclohexyl-5-(2-furyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1219643
N-(2-furylmethyl)-5,7-dimethyl-6-(2-methylbenzyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 3244271
N-(2-furanylmethyl)-5,7-dimethyl-6-[(3-methylphenyl)methyl]-3-pyrazolo[1,5-a]pyrimidinecarboxamide
CID 3244990
N-[4-(Furan-2-YL)butan-2-YL]-3-{2,5,7-trimethyl-3-phenylpyrazolo[1,5-A]pyrimidin-6-YL}propanamide
CID 9550122

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-6-[3-oxo-3-[(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)amino]propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5,7-dimethyl-6-[3-oxo-3-[(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)amino]propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 55844840) is 5,7-dimethyl-6-[3-oxo-3-[(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)amino]propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5,7-dimethyl-6-[3-oxo-3-[(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)amino]propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5,7-dimethyl-6-[3-oxo-3-[(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)amino]propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1cc2c(o1)CC(C)(C)CC2NC(=O)CCc1c(C)nc2c(C(N)=O)cnn2c1C.
What is the InChIKey of 5,7-dimethyl-6-[3-oxo-3-[(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)amino]propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is VZARXLYMDFLGIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O3/c1-12-8-16-18(9-23(4,5)10-19(16)31-12)27-20(29)7-6-15-13(2)26-22-17(21(24)30)11-25-28(22)14(15)3/h8,11,18H,6-7,9-10H2,1-5H3,(H2,24,30)(H,27,29).
What are the key properties of 5,7-dimethyl-6-[3-oxo-3-[(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)amino]propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5,7-dimethyl-6-[3-oxo-3-[(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)amino]propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 423.52 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-6-[3-oxo-3-[(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)amino]propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 55844840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).