6-methyl-5-[5-(2-morpholin-4-ylacetyl)-2-propan-2-yloxyphenyl]-3-propyl-2H-pyrazolo[4,3-d]pyrimidin-7-one

C24H31N5O4 — CID 70010313

IUPAC6-methyl-5-[5-(2-morpholin-4-ylacetyl)-2-propan-2-yloxyphenyl]-3-propyl-2H-pyrazolo[4,3-d]pyrimidin-7-one
SMILESCCCc1[nH]nc2c(=O)n(C)c(-c3cc(C(=O)CN4CCOCC4)ccc3OC(C)C)nc12
InChIInChI=1S/C24H31N5O4/c1-5-6-18-21-22(27-26-18)24(31)28(4)23(25-21)17-13-16(7-8-20(17)33-15(2)3)19(30)14-29-9-11-32-12-10-29/h7-8,13,15H,5-6,9-12,14H2,1-4H3,(H,26,27)
InChIKeyBRCSGTYZJUPMET-UHFFFAOYSA-N
MW453.54 g/mol
LogP2.58
Rot. Bonds8

About 6-methyl-5-[5-(2-morpholin-4-ylacetyl)-2-propan-2-yloxyphenyl]-3-propyl-2H-pyrazolo[4,3-d]pyrimidin-7-one

6-methyl-5-[5-(2-morpholin-4-ylacetyl)-2-propan-2-yloxyphenyl]-3-propyl-2H-pyrazolo[4,3-d]pyrimidin-7-one (PubChem CID 70010313) has the molecular formula C24H31N5O4 and a molecular weight of 453.54 g/mol. Its IUPAC name is 6-methyl-5-[5-(2-morpholin-4-ylacetyl)-2-propan-2-yloxyphenyl]-3-propyl-2H-pyrazolo[4,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-methyl-5-[5-(2-morpholin-4-ylacetyl)-2-propan-2-yloxyphenyl]-3-propyl-2H-pyrazolo[4,3-d]pyrimidin-7-one
PubChem CID70010313
Molecular FormulaC24H31N5O4
Molecular Weight453.54 g/mol
Exact Mass453.24
IUPAC Name6-methyl-5-[5-(2-morpholin-4-ylacetyl)-2-propan-2-yloxyphenyl]-3-propyl-2H-pyrazolo[4,3-d]pyrimidin-7-one
SMILESCCCc1[nH]nc2c(=O)n(C)c(-c3cc(C(=O)CN4CCOCC4)ccc3OC(C)C)nc12
InChIInChI=1S/C24H31N5O4/c1-5-6-18-21-22(27-26-18)24(31)28(4)23(25-21)17-13-16(7-8-20(17)33-15(2)3)19(30)14-29-9-11-32-12-10-29/h7-8,13,15H,5-6,9-12,14H2,1-4H3,(H,26,27)
InChIKeyBRCSGTYZJUPMET-UHFFFAOYSA-N
XLogP2.58
TPSA102.34 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.54
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-methyl-5-[5-(2-morpholin-4-ylacetyl)-2-propan-2-yloxyphenyl]-3-propyl-2H-pyrazolo[4,3-d]pyrimidin-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-[5-(2-morpholin-4-ylacetyl)-2-propan-2-yloxyphenyl]-3-propyl-2H-pyrazolo[4,3-d]pyrimidin-7-one?
The IUPAC name of 6-methyl-5-[5-(2-morpholin-4-ylacetyl)-2-propan-2-yloxyphenyl]-3-propyl-2H-pyrazolo[4,3-d]pyrimidin-7-one (CID 70010313) is 6-methyl-5-[5-(2-morpholin-4-ylacetyl)-2-propan-2-yloxyphenyl]-3-propyl-2H-pyrazolo[4,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-methyl-5-[5-(2-morpholin-4-ylacetyl)-2-propan-2-yloxyphenyl]-3-propyl-2H-pyrazolo[4,3-d]pyrimidin-7-one?
The canonical SMILES for 6-methyl-5-[5-(2-morpholin-4-ylacetyl)-2-propan-2-yloxyphenyl]-3-propyl-2H-pyrazolo[4,3-d]pyrimidin-7-one is CCCc1[nH]nc2c(=O)n(C)c(-c3cc(C(=O)CN4CCOCC4)ccc3OC(C)C)nc12.
What is the InChIKey of 6-methyl-5-[5-(2-morpholin-4-ylacetyl)-2-propan-2-yloxyphenyl]-3-propyl-2H-pyrazolo[4,3-d]pyrimidin-7-one?
The InChIKey is BRCSGTYZJUPMET-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O4/c1-5-6-18-21-22(27-26-18)24(31)28(4)23(25-21)17-13-16(7-8-20(17)33-15(2)3)19(30)14-29-9-11-32-12-10-29/h7-8,13,15H,5-6,9-12,14H2,1-4H3,(H,26,27).
What are the key properties of 6-methyl-5-[5-(2-morpholin-4-ylacetyl)-2-propan-2-yloxyphenyl]-3-propyl-2H-pyrazolo[4,3-d]pyrimidin-7-one?
6-methyl-5-[5-(2-morpholin-4-ylacetyl)-2-propan-2-yloxyphenyl]-3-propyl-2H-pyrazolo[4,3-d]pyrimidin-7-one has a molecular weight of 453.54 g/mol, XLogP of 2.58, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-[5-(2-morpholin-4-ylacetyl)-2-propan-2-yloxyphenyl]-3-propyl-2H-pyrazolo[4,3-d]pyrimidin-7-one is sourced from PubChem (CID 70010313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).