N-[5-(4-methoxyphenyl)-2-phenylpyrazolo[4,3-d]pyrimidin-7-yl]benzamide

C25H19N5O2 — CID 127037422

IUPACN-[5-(4-methoxyphenyl)-2-phenylpyrazolo[4,3-d]pyrimidin-7-yl]benzamide
SMILESCOc1ccc(-c2nc(NC(=O)c3ccccc3)c3nn(-c4ccccc4)cc3n2)cc1
InChIInChI=1S/C25H19N5O2/c1-32-20-14-12-17(13-15-20)23-26-21-16-30(19-10-6-3-7-11-19)29-22(21)24(27-23)28-25(31)18-8-4-2-5-9-18/h2-16H,1H3,(H,26,27,28,31)
InChIKeyBDSWIUDQNNXKFK-UHFFFAOYSA-N
MW421.46 g/mol
LogP4.74
Rot. Bonds5

About N-[5-(4-methoxyphenyl)-2-phenylpyrazolo[4,3-d]pyrimidin-7-yl]benzamide

N-[5-(4-methoxyphenyl)-2-phenylpyrazolo[4,3-d]pyrimidin-7-yl]benzamide (PubChem CID 127037422) has the molecular formula C25H19N5O2 and a molecular weight of 421.46 g/mol. Its IUPAC name is N-[5-(4-methoxyphenyl)-2-phenylpyrazolo[4,3-d]pyrimidin-7-yl]benzamide.

Molecular Properties

Compound NameN-[5-(4-methoxyphenyl)-2-phenylpyrazolo[4,3-d]pyrimidin-7-yl]benzamide
PubChem CID127037422
Molecular FormulaC25H19N5O2
Molecular Weight421.46 g/mol
Exact Mass421.15
IUPAC NameN-[5-(4-methoxyphenyl)-2-phenylpyrazolo[4,3-d]pyrimidin-7-yl]benzamide
SMILESCOc1ccc(-c2nc(NC(=O)c3ccccc3)c3nn(-c4ccccc4)cc3n2)cc1
InChIInChI=1S/C25H19N5O2/c1-32-20-14-12-17(13-15-20)23-26-21-16-30(19-10-6-3-7-11-19)29-22(21)24(27-23)28-25(31)18-8-4-2-5-9-18/h2-16H,1H3,(H,26,27,28,31)
InChIKeyBDSWIUDQNNXKFK-UHFFFAOYSA-N
XLogP4.74
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.46
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-(4-methoxyphenyl)-2-phenylpyrazolo[4,3-d]pyrimidin-7-yl]benzamide?
The IUPAC name of N-[5-(4-methoxyphenyl)-2-phenylpyrazolo[4,3-d]pyrimidin-7-yl]benzamide (CID 127037422) is N-[5-(4-methoxyphenyl)-2-phenylpyrazolo[4,3-d]pyrimidin-7-yl]benzamide.
What is the SMILES notation for N-[5-(4-methoxyphenyl)-2-phenylpyrazolo[4,3-d]pyrimidin-7-yl]benzamide?
The canonical SMILES for N-[5-(4-methoxyphenyl)-2-phenylpyrazolo[4,3-d]pyrimidin-7-yl]benzamide is COc1ccc(-c2nc(NC(=O)c3ccccc3)c3nn(-c4ccccc4)cc3n2)cc1.
What is the InChIKey of N-[5-(4-methoxyphenyl)-2-phenylpyrazolo[4,3-d]pyrimidin-7-yl]benzamide?
The InChIKey is BDSWIUDQNNXKFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N5O2/c1-32-20-14-12-17(13-15-20)23-26-21-16-30(19-10-6-3-7-11-19)29-22(21)24(27-23)28-25(31)18-8-4-2-5-9-18/h2-16H,1H3,(H,26,27,28,31).
What are the key properties of N-[5-(4-methoxyphenyl)-2-phenylpyrazolo[4,3-d]pyrimidin-7-yl]benzamide?
N-[5-(4-methoxyphenyl)-2-phenylpyrazolo[4,3-d]pyrimidin-7-yl]benzamide has a molecular weight of 421.46 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-methoxyphenyl)-2-phenylpyrazolo[4,3-d]pyrimidin-7-yl]benzamide is sourced from PubChem (CID 127037422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).