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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Related Compounds

CID 24767976
CID 24767976
CID 25024302
CID 25024302
CID 25024497
CID 25024497
CID 57708566
CID 57708566
CID 71735440
CID 71735440
CID 71737355
CID 71737355
CID 68778068
CID 68778068
CID 16009052
CID 16009052
CID 10832101
CID 10832101
CID 91299904
CID 91299904
CID 44454940
CID 44454940
CID 46237929
CID 46237929

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).