5-[(2-phenylmethoxyphenyl)methyl]-3-propan-2-yl-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one

C22H22N4O2 — CID 135721222

IUPAC5-[(2-phenylmethoxyphenyl)methyl]-3-propan-2-yl-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one
SMILESCC(C)c1[nH]nc2c(=O)[nH]c(Cc3ccccc3OCc3ccccc3)nc12
InChIInChI=1S/C22H22N4O2/c1-14(2)19-20-21(26-25-19)22(27)24-18(23-20)12-16-10-6-7-11-17(16)28-13-15-8-4-3-5-9-15/h3-11,14H,12-13H2,1-2H3,(H,25,26)(H,23,24,27)
InChIKeyZQBYOGSAPCTBKD-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.94
Rot. Bonds6

About 5-[(2-phenylmethoxyphenyl)methyl]-3-propan-2-yl-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one

5-[(2-phenylmethoxyphenyl)methyl]-3-propan-2-yl-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one (PubChem CID 135721222) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is 5-[(2-phenylmethoxyphenyl)methyl]-3-propan-2-yl-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name5-[(2-phenylmethoxyphenyl)methyl]-3-propan-2-yl-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one
PubChem CID135721222
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC Name5-[(2-phenylmethoxyphenyl)methyl]-3-propan-2-yl-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one
SMILESCC(C)c1[nH]nc2c(=O)[nH]c(Cc3ccccc3OCc3ccccc3)nc12
InChIInChI=1S/C22H22N4O2/c1-14(2)19-20-21(26-25-19)22(27)24-18(23-20)12-16-10-6-7-11-17(16)28-13-15-8-4-3-5-9-15/h3-11,14H,12-13H2,1-2H3,(H,25,26)(H,23,24,27)
InChIKeyZQBYOGSAPCTBKD-UHFFFAOYSA-N
XLogP3.94
TPSA83.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-phenylmethoxyphenyl)methyl]-3-propan-2-yl-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one?
The IUPAC name of 5-[(2-phenylmethoxyphenyl)methyl]-3-propan-2-yl-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one (CID 135721222) is 5-[(2-phenylmethoxyphenyl)methyl]-3-propan-2-yl-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one.
What is the SMILES notation for 5-[(2-phenylmethoxyphenyl)methyl]-3-propan-2-yl-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one?
The canonical SMILES for 5-[(2-phenylmethoxyphenyl)methyl]-3-propan-2-yl-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one is CC(C)c1[nH]nc2c(=O)[nH]c(Cc3ccccc3OCc3ccccc3)nc12.
What is the InChIKey of 5-[(2-phenylmethoxyphenyl)methyl]-3-propan-2-yl-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one?
The InChIKey is ZQBYOGSAPCTBKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-14(2)19-20-21(26-25-19)22(27)24-18(23-20)12-16-10-6-7-11-17(16)28-13-15-8-4-3-5-9-15/h3-11,14H,12-13H2,1-2H3,(H,25,26)(H,23,24,27).
What are the key properties of 5-[(2-phenylmethoxyphenyl)methyl]-3-propan-2-yl-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one?
5-[(2-phenylmethoxyphenyl)methyl]-3-propan-2-yl-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one has a molecular weight of 374.44 g/mol, XLogP of 3.94, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-phenylmethoxyphenyl)methyl]-3-propan-2-yl-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one is sourced from PubChem (CID 135721222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).