N-[2-[5-[(2-methylphenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-2-(4-propan-2-ylphenoxy)acetamide

C26H29N5O3 — CID 42391888

IUPACN-[2-[5-[(2-methylphenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-2-(4-propan-2-ylphenoxy)acetamide
SMILESCc1ccccc1Cn1cnc2c(cnn2CCNC(=O)COc2ccc(C(C)C)cc2)c1=O
InChIInChI=1S/C26H29N5O3/c1-18(2)20-8-10-22(11-9-20)34-16-24(32)27-12-13-31-25-23(14-29-31)26(33)30(17-28-25)15-21-7-5-4-6-19(21)3/h4-11,14,17-18H,12-13,15-16H2,1-3H3,(H,27,32)
InChIKeyRWWAJUWUVGBYNL-UHFFFAOYSA-N
MW459.55 g/mol
LogP3.27
Rot. Bonds9

About N-[2-[5-[(2-methylphenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-2-(4-propan-2-ylphenoxy)acetamide

N-[2-[5-[(2-methylphenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-2-(4-propan-2-ylphenoxy)acetamide (PubChem CID 42391888) has the molecular formula C26H29N5O3 and a molecular weight of 459.55 g/mol. Its IUPAC name is N-[2-[5-[(2-methylphenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-2-(4-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-[2-[5-[(2-methylphenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-2-(4-propan-2-ylphenoxy)acetamide
PubChem CID42391888
Molecular FormulaC26H29N5O3
Molecular Weight459.55 g/mol
Exact Mass459.23
IUPAC NameN-[2-[5-[(2-methylphenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-2-(4-propan-2-ylphenoxy)acetamide
SMILESCc1ccccc1Cn1cnc2c(cnn2CCNC(=O)COc2ccc(C(C)C)cc2)c1=O
InChIInChI=1S/C26H29N5O3/c1-18(2)20-8-10-22(11-9-20)34-16-24(32)27-12-13-31-25-23(14-29-31)26(33)30(17-28-25)15-21-7-5-4-6-19(21)3/h4-11,14,17-18H,12-13,15-16H2,1-3H3,(H,27,32)
InChIKeyRWWAJUWUVGBYNL-UHFFFAOYSA-N
XLogP3.27
TPSA91.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.55
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-chlorophenyl)-N-[2-[5-[(2-methylphenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]acetamide
CID 42391895
3,3-dimethyl-N-[2-[5-[(2-methylphenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]butanamide
CID 42391806
N-[2-[5-[(2-fluorophenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-2-naphthalen-2-yloxyacetamide
CID 42391334
N-[2-[5-[(2-methylphenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]naphthalene-2-carboxamide
CID 42391870
N-[2-[5-[(2-methylphenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-2-(4-oxochromen-2-yl)acetamide
CID 42391938
N-[2-[5-[(2-methylphenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-2-methylsulfanylbenzamide
CID 42391931
2-bromo-N-[2-[5-[(2-methylphenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]benzamide
CID 42391847
2-(4-fluorophenoxy)-N-[2-[5-[(4-methylphenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]acetamide
CID 40908479
2-(2-fluorophenoxy)-N-[2-[5-[(2-fluorophenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]acetamide
CID 42391341
3,4,5-triethoxy-N-[2-[5-[(2-methylphenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]benzamide
CID 42391840
2-methyl-N-[2-[5-(naphthalen-1-ylmethyl)-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]benzamide
CID 40908650
2-(4-fluorophenoxy)-N-[2-[5-[(3-fluorophenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]acetamide
CID 40908832

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-[(2-methylphenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-2-(4-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-[2-[5-[(2-methylphenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-2-(4-propan-2-ylphenoxy)acetamide (CID 42391888) is N-[2-[5-[(2-methylphenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-2-(4-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-[2-[5-[(2-methylphenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-2-(4-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-[2-[5-[(2-methylphenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-2-(4-propan-2-ylphenoxy)acetamide is Cc1ccccc1Cn1cnc2c(cnn2CCNC(=O)COc2ccc(C(C)C)cc2)c1=O.
What is the InChIKey of N-[2-[5-[(2-methylphenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-2-(4-propan-2-ylphenoxy)acetamide?
The InChIKey is RWWAJUWUVGBYNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O3/c1-18(2)20-8-10-22(11-9-20)34-16-24(32)27-12-13-31-25-23(14-29-31)26(33)30(17-28-25)15-21-7-5-4-6-19(21)3/h4-11,14,17-18H,12-13,15-16H2,1-3H3,(H,27,32).
What are the key properties of N-[2-[5-[(2-methylphenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-2-(4-propan-2-ylphenoxy)acetamide?
N-[2-[5-[(2-methylphenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-2-(4-propan-2-ylphenoxy)acetamide has a molecular weight of 459.55 g/mol, XLogP of 3.27, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-[(2-methylphenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-2-(4-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 42391888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).