6-[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonyl-3-pyridinyl]-1-ethyl-3-(phenylmethoxymethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one

C28H35N7O5S — CID 135850605

IUPAC6-[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonyl-3-pyridinyl]-1-ethyl-3-(phenylmethoxymethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCCOc1ncc(S(=O)(=O)N2CCN(CC)CC2)cc1-c1nc2c(c(COCc3ccccc3)nn2CC)c(=O)[nH]1
InChIInChI=1S/C28H35N7O5S/c1-4-33-12-14-34(15-13-33)41(37,38)21-16-22(28(29-17-21)40-6-3)25-30-26-24(27(36)31-25)23(32-35(26)5-2)19-39-18-20-10-8-7-9-11-20/h7-11,16-17H,4-6,12-15,18-19H2,1-3H3,(H,30,31,36)
InChIKeyHDIVCZFNGDQHQN-UHFFFAOYSA-N
MW581.70 g/mol
LogP2.64
Rot. Bonds11

About 6-[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonyl-3-pyridinyl]-1-ethyl-3-(phenylmethoxymethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one

6-[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonyl-3-pyridinyl]-1-ethyl-3-(phenylmethoxymethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 135850605) has the molecular formula C28H35N7O5S and a molecular weight of 581.70 g/mol. Its IUPAC name is 6-[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonyl-3-pyridinyl]-1-ethyl-3-(phenylmethoxymethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonyl-3-pyridinyl]-1-ethyl-3-(phenylmethoxymethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID135850605
Molecular FormulaC28H35N7O5S
Molecular Weight581.70 g/mol
Exact Mass581.24
IUPAC Name6-[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonyl-3-pyridinyl]-1-ethyl-3-(phenylmethoxymethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCCOc1ncc(S(=O)(=O)N2CCN(CC)CC2)cc1-c1nc2c(c(COCc3ccccc3)nn2CC)c(=O)[nH]1
InChIInChI=1S/C28H35N7O5S/c1-4-33-12-14-34(15-13-33)41(37,38)21-16-22(28(29-17-21)40-6-3)25-30-26-24(27(36)31-25)23(32-35(26)5-2)19-39-18-20-10-8-7-9-11-20/h7-11,16-17H,4-6,12-15,18-19H2,1-3H3,(H,30,31,36)
InChIKeyHDIVCZFNGDQHQN-UHFFFAOYSA-N
XLogP2.64
TPSA135.54 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500581.70
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 6-[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonyl-3-pyridinyl]-1-ethyl-3-(phenylmethoxymethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one with MolForge

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Related Compounds

3-ethoxy-5-[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonyl-3-pyridinyl]-2-methyl-6H-pyrazolo[4,3-d]pyrimidin-7-one
CID 135767311
5-[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonyl-3-pyridinyl]-3-ethyl-2-phenyl-6H-pyrazolo[4,3-d]pyrimidin-7-one
CID 135469678
6-[5-(4-methylpiperazin-1-yl)sulfonyl-2-propan-2-yloxyphenyl]-3-(phenylmethoxymethyl)-1-propyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135529072
5-[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonyl-3-pyridinyl]-3-propyl-1-(pyrimidin-2-ylmethyl)-6H-pyrazolo[4,5-d]pyrimidin-7-one
CID 135816362
2-cyclobutyl-5-[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonyl-3-pyridinyl]-3-ethyl-6H-pyrazolo[4,3-d]pyrimidin-7-one
CID 135790106
5-[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonyl-3-pyridinyl]-2-methyl-3-[4-(trifluoromethyl)phenyl]-6H-pyrazolo[4,3-d]pyrimidin-7-one
CID 135462939
5-[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonyl-3-pyridinyl]-2-[(1-methylimidazol-2-yl)methyl]-3-propyl-6H-pyrazolo[4,3-d]pyrimidin-7-one
CID 135810290
5-[5-(4-ethylpiperazin-1-yl)sulfonyl-2-propoxy-3-pyridinyl]-3-pyridin-3-yl-2-(pyrimidin-2-ylmethyl)-6H-pyrazolo[4,3-d]pyrimidin-7-one
CID 135431037
5-[5-[4-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperazin-1-yl]sulfonyl-2-ethoxy-3-pyridinyl]-3-propyl-2-(pyridin-2-ylmethyl)-6H-pyrazolo[4,3-d]pyrimidin-7-one
CID 135529109
5-[2-ethoxy-5-[4-(2-hydroxyethyl)piperazin-1-yl]sulfonylphenyl]-1-ethyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
CID 135738539
3-ethyl-5-[5-(4-ethylpiperazin-1-yl)sulfonyl-2-propoxyphenyl]-1-(pyridin-2-ylmethyl)-6H-pyrazolo[4,5-d]pyrimidin-7-one
CID 135987361
8-cyclopentyl-2-[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonylphenyl]-6-ethyl-3H-imidazo[1,5-a][1,3,5]triazin-4-one
CID 135544363

Frequently Asked Questions

What is the IUPAC name of 6-[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonyl-3-pyridinyl]-1-ethyl-3-(phenylmethoxymethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 6-[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonyl-3-pyridinyl]-1-ethyl-3-(phenylmethoxymethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 135850605) is 6-[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonyl-3-pyridinyl]-1-ethyl-3-(phenylmethoxymethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonyl-3-pyridinyl]-1-ethyl-3-(phenylmethoxymethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 6-[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonyl-3-pyridinyl]-1-ethyl-3-(phenylmethoxymethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one is CCOc1ncc(S(=O)(=O)N2CCN(CC)CC2)cc1-c1nc2c(c(COCc3ccccc3)nn2CC)c(=O)[nH]1.
What is the InChIKey of 6-[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonyl-3-pyridinyl]-1-ethyl-3-(phenylmethoxymethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is HDIVCZFNGDQHQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N7O5S/c1-4-33-12-14-34(15-13-33)41(37,38)21-16-22(28(29-17-21)40-6-3)25-30-26-24(27(36)31-25)23(32-35(26)5-2)19-39-18-20-10-8-7-9-11-20/h7-11,16-17H,4-6,12-15,18-19H2,1-3H3,(H,30,31,36).
What are the key properties of 6-[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonyl-3-pyridinyl]-1-ethyl-3-(phenylmethoxymethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
6-[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonyl-3-pyridinyl]-1-ethyl-3-(phenylmethoxymethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 581.70 g/mol, XLogP of 2.64, 11 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonyl-3-pyridinyl]-1-ethyl-3-(phenylmethoxymethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 135850605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).