4-[6-(4-phenylmethoxyphenyl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-yl]morpholine

C24H22N8O2 — CID 15958048

IUPAC4-[6-(4-phenylmethoxyphenyl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-yl]morpholine
SMILESc1ccc(COc2ccc(-c3cnc4c(-c5nn[nH]n5)cnn4c3N3CCOCC3)cc2)cc1
InChIInChI=1S/C24H22N8O2/c1-2-4-17(5-3-1)16-34-19-8-6-18(7-9-19)20-14-25-23-21(22-27-29-30-28-22)15-26-32(23)24(20)31-10-12-33-13-11-31/h1-9,14-15H,10-13,16H2,(H,27,28,29,30)
InChIKeyKKSMCBOXKQGHAQ-UHFFFAOYSA-N
MW454.49 g/mol
LogP2.99
Rot. Bonds6

About 4-[6-(4-phenylmethoxyphenyl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-yl]morpholine

4-[6-(4-phenylmethoxyphenyl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-yl]morpholine (PubChem CID 15958048) has the molecular formula C24H22N8O2 and a molecular weight of 454.49 g/mol. Its IUPAC name is 4-[6-(4-phenylmethoxyphenyl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-yl]morpholine.

Molecular Properties

Compound Name4-[6-(4-phenylmethoxyphenyl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-yl]morpholine
PubChem CID15958048
Molecular FormulaC24H22N8O2
Molecular Weight454.49 g/mol
Exact Mass454.19
IUPAC Name4-[6-(4-phenylmethoxyphenyl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-yl]morpholine
SMILESc1ccc(COc2ccc(-c3cnc4c(-c5nn[nH]n5)cnn4c3N3CCOCC3)cc2)cc1
InChIInChI=1S/C24H22N8O2/c1-2-4-17(5-3-1)16-34-19-8-6-18(7-9-19)20-14-25-23-21(22-27-29-30-28-22)15-26-32(23)24(20)31-10-12-33-13-11-31/h1-9,14-15H,10-13,16H2,(H,27,28,29,30)
InChIKeyKKSMCBOXKQGHAQ-UHFFFAOYSA-N
XLogP2.99
TPSA106.35 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.49
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(4-phenylmethoxyphenyl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-yl]morpholine?
The IUPAC name of 4-[6-(4-phenylmethoxyphenyl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-yl]morpholine (CID 15958048) is 4-[6-(4-phenylmethoxyphenyl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-yl]morpholine.
What is the SMILES notation for 4-[6-(4-phenylmethoxyphenyl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-yl]morpholine?
The canonical SMILES for 4-[6-(4-phenylmethoxyphenyl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-yl]morpholine is c1ccc(COc2ccc(-c3cnc4c(-c5nn[nH]n5)cnn4c3N3CCOCC3)cc2)cc1.
What is the InChIKey of 4-[6-(4-phenylmethoxyphenyl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-yl]morpholine?
The InChIKey is KKSMCBOXKQGHAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N8O2/c1-2-4-17(5-3-1)16-34-19-8-6-18(7-9-19)20-14-25-23-21(22-27-29-30-28-22)15-26-32(23)24(20)31-10-12-33-13-11-31/h1-9,14-15H,10-13,16H2,(H,27,28,29,30).
What are the key properties of 4-[6-(4-phenylmethoxyphenyl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-yl]morpholine?
4-[6-(4-phenylmethoxyphenyl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-yl]morpholine has a molecular weight of 454.49 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(4-phenylmethoxyphenyl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-yl]morpholine is sourced from PubChem (CID 15958048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).