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

C20H17N5O2 — CID 71602066

IUPACN-[2-(4-methoxyphenyl)-5-methylpyrazolo[4,3-d]pyrimidin-7-yl]benzamide
SMILESCOc1ccc(-n2cc3nc(C)nc(NC(=O)c4ccccc4)c3n2)cc1
InChIInChI=1S/C20H17N5O2/c1-13-21-17-12-25(15-8-10-16(27-2)11-9-15)24-18(17)19(22-13)23-20(26)14-6-4-3-5-7-14/h3-12H,1-2H3,(H,21,22,23,26)
InChIKeyPEWABPMWMWMWQY-UHFFFAOYSA-N
MW359.39 g/mol
LogP3.38
Rot. Bonds4

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

N-[2-(4-methoxyphenyl)-5-methylpyrazolo[4,3-d]pyrimidin-7-yl]benzamide (PubChem CID 71602066) has the molecular formula C20H17N5O2 and a molecular weight of 359.39 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)-5-methylpyrazolo[4,3-d]pyrimidin-7-yl]benzamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)-5-methylpyrazolo[4,3-d]pyrimidin-7-yl]benzamide
PubChem CID71602066
Molecular FormulaC20H17N5O2
Molecular Weight359.39 g/mol
Exact Mass359.14
IUPAC NameN-[2-(4-methoxyphenyl)-5-methylpyrazolo[4,3-d]pyrimidin-7-yl]benzamide
SMILESCOc1ccc(-n2cc3nc(C)nc(NC(=O)c4ccccc4)c3n2)cc1
InChIInChI=1S/C20H17N5O2/c1-13-21-17-12-25(15-8-10-16(27-2)11-9-15)24-18(17)19(22-13)23-20(26)14-6-4-3-5-7-14/h3-12H,1-2H3,(H,21,22,23,26)
InChIKeyPEWABPMWMWMWQY-UHFFFAOYSA-N
XLogP3.38
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)-5-methylpyrazolo[4,3-d]pyrimidin-7-yl]benzamide?
The IUPAC name of N-[2-(4-methoxyphenyl)-5-methylpyrazolo[4,3-d]pyrimidin-7-yl]benzamide (CID 71602066) is N-[2-(4-methoxyphenyl)-5-methylpyrazolo[4,3-d]pyrimidin-7-yl]benzamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)-5-methylpyrazolo[4,3-d]pyrimidin-7-yl]benzamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)-5-methylpyrazolo[4,3-d]pyrimidin-7-yl]benzamide is COc1ccc(-n2cc3nc(C)nc(NC(=O)c4ccccc4)c3n2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)-5-methylpyrazolo[4,3-d]pyrimidin-7-yl]benzamide?
The InChIKey is PEWABPMWMWMWQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O2/c1-13-21-17-12-25(15-8-10-16(27-2)11-9-15)24-18(17)19(22-13)23-20(26)14-6-4-3-5-7-14/h3-12H,1-2H3,(H,21,22,23,26).
What are the key properties of N-[2-(4-methoxyphenyl)-5-methylpyrazolo[4,3-d]pyrimidin-7-yl]benzamide?
N-[2-(4-methoxyphenyl)-5-methylpyrazolo[4,3-d]pyrimidin-7-yl]benzamide has a molecular weight of 359.39 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)-5-methylpyrazolo[4,3-d]pyrimidin-7-yl]benzamide is sourced from PubChem (CID 71602066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).