4-(2,3-dihydroxypentan-2-yl)-N-(2-methyl-7-phenylpyrazolo[1,5-a]pyrimidin-5-yl)benzamide

C25H26N4O3 — CID 75628494

IUPAC4-(2,3-dihydroxypentan-2-yl)-N-(2-methyl-7-phenylpyrazolo[1,5-a]pyrimidin-5-yl)benzamide
SMILESCCC(O)C(C)(O)c1ccc(C(=O)Nc2cc(-c3ccccc3)n3nc(C)cc3n2)cc1
InChIInChI=1S/C25H26N4O3/c1-4-21(30)25(3,32)19-12-10-18(11-13-19)24(31)27-22-15-20(17-8-6-5-7-9-17)29-23(26-22)14-16(2)28-29/h5-15,21,30,32H,4H2,1-3H3,(H,26,27,31)
InChIKeyLJMALIPAHYLSOG-UHFFFAOYSA-N
MW430.51 g/mol
LogP3.94
Rot. Bonds6

About 4-(2,3-dihydroxypentan-2-yl)-N-(2-methyl-7-phenylpyrazolo[1,5-a]pyrimidin-5-yl)benzamide

4-(2,3-dihydroxypentan-2-yl)-N-(2-methyl-7-phenylpyrazolo[1,5-a]pyrimidin-5-yl)benzamide (PubChem CID 75628494) has the molecular formula C25H26N4O3 and a molecular weight of 430.51 g/mol. Its IUPAC name is 4-(2,3-dihydroxypentan-2-yl)-N-(2-methyl-7-phenylpyrazolo[1,5-a]pyrimidin-5-yl)benzamide.

Molecular Properties

Compound Name4-(2,3-dihydroxypentan-2-yl)-N-(2-methyl-7-phenylpyrazolo[1,5-a]pyrimidin-5-yl)benzamide
PubChem CID75628494
Molecular FormulaC25H26N4O3
Molecular Weight430.51 g/mol
Exact Mass430.20
IUPAC Name4-(2,3-dihydroxypentan-2-yl)-N-(2-methyl-7-phenylpyrazolo[1,5-a]pyrimidin-5-yl)benzamide
SMILESCCC(O)C(C)(O)c1ccc(C(=O)Nc2cc(-c3ccccc3)n3nc(C)cc3n2)cc1
InChIInChI=1S/C25H26N4O3/c1-4-21(30)25(3,32)19-12-10-18(11-13-19)24(31)27-22-15-20(17-8-6-5-7-9-17)29-23(26-22)14-16(2)28-29/h5-15,21,30,32H,4H2,1-3H3,(H,26,27,31)
InChIKeyLJMALIPAHYLSOG-UHFFFAOYSA-N
XLogP3.94
TPSA99.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 53.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydroxypentan-2-yl)-N-(2-methyl-7-phenylpyrazolo[1,5-a]pyrimidin-5-yl)benzamide?
The IUPAC name of 4-(2,3-dihydroxypentan-2-yl)-N-(2-methyl-7-phenylpyrazolo[1,5-a]pyrimidin-5-yl)benzamide (CID 75628494) is 4-(2,3-dihydroxypentan-2-yl)-N-(2-methyl-7-phenylpyrazolo[1,5-a]pyrimidin-5-yl)benzamide.
What is the SMILES notation for 4-(2,3-dihydroxypentan-2-yl)-N-(2-methyl-7-phenylpyrazolo[1,5-a]pyrimidin-5-yl)benzamide?
The canonical SMILES for 4-(2,3-dihydroxypentan-2-yl)-N-(2-methyl-7-phenylpyrazolo[1,5-a]pyrimidin-5-yl)benzamide is CCC(O)C(C)(O)c1ccc(C(=O)Nc2cc(-c3ccccc3)n3nc(C)cc3n2)cc1.
What is the InChIKey of 4-(2,3-dihydroxypentan-2-yl)-N-(2-methyl-7-phenylpyrazolo[1,5-a]pyrimidin-5-yl)benzamide?
The InChIKey is LJMALIPAHYLSOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O3/c1-4-21(30)25(3,32)19-12-10-18(11-13-19)24(31)27-22-15-20(17-8-6-5-7-9-17)29-23(26-22)14-16(2)28-29/h5-15,21,30,32H,4H2,1-3H3,(H,26,27,31).
What are the key properties of 4-(2,3-dihydroxypentan-2-yl)-N-(2-methyl-7-phenylpyrazolo[1,5-a]pyrimidin-5-yl)benzamide?
4-(2,3-dihydroxypentan-2-yl)-N-(2-methyl-7-phenylpyrazolo[1,5-a]pyrimidin-5-yl)benzamide has a molecular weight of 430.51 g/mol, XLogP of 3.94, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydroxypentan-2-yl)-N-(2-methyl-7-phenylpyrazolo[1,5-a]pyrimidin-5-yl)benzamide is sourced from PubChem (CID 75628494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).