N-(2,5-diphenylpyrazolo[4,3-d]pyrimidin-7-yl)-4-methoxybenzamide

C25H19N5O2 — CID 71601932

IUPACN-(2,5-diphenylpyrazolo[4,3-d]pyrimidin-7-yl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2nc(-c3ccccc3)nc3cn(-c4ccccc4)nc23)cc1
InChIInChI=1S/C25H19N5O2/c1-32-20-14-12-18(13-15-20)25(31)28-24-22-21(16-30(29-22)19-10-6-3-7-11-19)26-23(27-24)17-8-4-2-5-9-17/h2-16H,1H3,(H,26,27,28,31)
InChIKeyBPAIIDIEIANVEX-UHFFFAOYSA-N
MW421.46 g/mol
LogP4.74
Rot. Bonds5

About N-(2,5-diphenylpyrazolo[4,3-d]pyrimidin-7-yl)-4-methoxybenzamide

N-(2,5-diphenylpyrazolo[4,3-d]pyrimidin-7-yl)-4-methoxybenzamide (PubChem CID 71601932) has the molecular formula C25H19N5O2 and a molecular weight of 421.46 g/mol. Its IUPAC name is N-(2,5-diphenylpyrazolo[4,3-d]pyrimidin-7-yl)-4-methoxybenzamide.

Molecular Properties

Compound NameN-(2,5-diphenylpyrazolo[4,3-d]pyrimidin-7-yl)-4-methoxybenzamide
PubChem CID71601932
Molecular FormulaC25H19N5O2
Molecular Weight421.46 g/mol
Exact Mass421.15
IUPAC NameN-(2,5-diphenylpyrazolo[4,3-d]pyrimidin-7-yl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2nc(-c3ccccc3)nc3cn(-c4ccccc4)nc23)cc1
InChIInChI=1S/C25H19N5O2/c1-32-20-14-12-18(13-15-20)25(31)28-24-22-21(16-30(29-22)19-10-6-3-7-11-19)26-23(27-24)17-8-4-2-5-9-17/h2-16H,1H3,(H,26,27,28,31)
InChIKeyBPAIIDIEIANVEX-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-(2,5-diphenylpyrazolo[4,3-d]pyrimidin-7-yl)-4-methoxybenzamide?
The IUPAC name of N-(2,5-diphenylpyrazolo[4,3-d]pyrimidin-7-yl)-4-methoxybenzamide (CID 71601932) is N-(2,5-diphenylpyrazolo[4,3-d]pyrimidin-7-yl)-4-methoxybenzamide.
What is the SMILES notation for N-(2,5-diphenylpyrazolo[4,3-d]pyrimidin-7-yl)-4-methoxybenzamide?
The canonical SMILES for N-(2,5-diphenylpyrazolo[4,3-d]pyrimidin-7-yl)-4-methoxybenzamide is COc1ccc(C(=O)Nc2nc(-c3ccccc3)nc3cn(-c4ccccc4)nc23)cc1.
What is the InChIKey of N-(2,5-diphenylpyrazolo[4,3-d]pyrimidin-7-yl)-4-methoxybenzamide?
The InChIKey is BPAIIDIEIANVEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N5O2/c1-32-20-14-12-18(13-15-20)25(31)28-24-22-21(16-30(29-22)19-10-6-3-7-11-19)26-23(27-24)17-8-4-2-5-9-17/h2-16H,1H3,(H,26,27,28,31).
What are the key properties of N-(2,5-diphenylpyrazolo[4,3-d]pyrimidin-7-yl)-4-methoxybenzamide?
N-(2,5-diphenylpyrazolo[4,3-d]pyrimidin-7-yl)-4-methoxybenzamide 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-(2,5-diphenylpyrazolo[4,3-d]pyrimidin-7-yl)-4-methoxybenzamide is sourced from PubChem (CID 71601932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).