N-[(3-methoxy-4-propoxyphenyl)methyl]-3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanamide

C20H25N5O4 — CID 46410572

IUPACN-[(3-methoxy-4-propoxyphenyl)methyl]-3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanamide
SMILESCCCOc1ccc(CNC(=O)CCn2cnc3c(cnn3C)c2=O)cc1OC
InChIInChI=1S/C20H25N5O4/c1-4-9-29-16-6-5-14(10-17(16)28-3)11-21-18(26)7-8-25-13-22-19-15(20(25)27)12-23-24(19)2/h5-6,10,12-13H,4,7-9,11H2,1-3H3,(H,21,26)
InChIKeyYWDIASCQKRNNLX-UHFFFAOYSA-N
MW399.45 g/mol
LogP1.63
Rot. Bonds9

About N-[(3-methoxy-4-propoxyphenyl)methyl]-3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanamide

N-[(3-methoxy-4-propoxyphenyl)methyl]-3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanamide (PubChem CID 46410572) has the molecular formula C20H25N5O4 and a molecular weight of 399.45 g/mol. Its IUPAC name is N-[(3-methoxy-4-propoxyphenyl)methyl]-3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanamide.

Molecular Properties

Compound NameN-[(3-methoxy-4-propoxyphenyl)methyl]-3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanamide
PubChem CID46410572
Molecular FormulaC20H25N5O4
Molecular Weight399.45 g/mol
Exact Mass399.19
IUPAC NameN-[(3-methoxy-4-propoxyphenyl)methyl]-3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanamide
SMILESCCCOc1ccc(CNC(=O)CCn2cnc3c(cnn3C)c2=O)cc1OC
InChIInChI=1S/C20H25N5O4/c1-4-9-29-16-6-5-14(10-17(16)28-3)11-21-18(26)7-8-25-13-22-19-15(20(25)27)12-23-24(19)2/h5-6,10,12-13H,4,7-9,11H2,1-3H3,(H,21,26)
InChIKeyYWDIASCQKRNNLX-UHFFFAOYSA-N
XLogP1.63
TPSA100.27 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 27559456
N-[(4-butoxy-3-methoxyphenyl)methyl]-3-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
CID 39970656
N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-methyl-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 38400635
methyl 4,5-dimethoxy-2-[3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanoylamino]benzoate
CID 16593148
3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[(3-piperidin-1-ylphenyl)methyl]propanamide
CID 46976685
N-[(2-methoxyphenyl)methyl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 26022125
5-(2,5-dimethylpyrrol-1-yl)-N-[(3-methoxy-4-propoxyphenyl)methyl]-1-methylpyrazole-4-carboxamide
CID 60573967
N-[(4-chlorophenyl)methyl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 25399300
N-[(2,3-dimethoxyphenyl)methyl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 55583480
5-[(3-bromo-4-methoxyphenyl)methyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one
CID 17408906
2-bromo-N-[(4-butoxy-3-methoxyphenyl)methyl]acetamide
CID 112547109
N-[(3-methoxy-4-propoxyphenyl)methyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 46425090

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxy-4-propoxyphenyl)methyl]-3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanamide?
The IUPAC name of N-[(3-methoxy-4-propoxyphenyl)methyl]-3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanamide (CID 46410572) is N-[(3-methoxy-4-propoxyphenyl)methyl]-3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanamide.
What is the SMILES notation for N-[(3-methoxy-4-propoxyphenyl)methyl]-3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanamide?
The canonical SMILES for N-[(3-methoxy-4-propoxyphenyl)methyl]-3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanamide is CCCOc1ccc(CNC(=O)CCn2cnc3c(cnn3C)c2=O)cc1OC.
What is the InChIKey of N-[(3-methoxy-4-propoxyphenyl)methyl]-3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanamide?
The InChIKey is YWDIASCQKRNNLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O4/c1-4-9-29-16-6-5-14(10-17(16)28-3)11-21-18(26)7-8-25-13-22-19-15(20(25)27)12-23-24(19)2/h5-6,10,12-13H,4,7-9,11H2,1-3H3,(H,21,26).
What are the key properties of N-[(3-methoxy-4-propoxyphenyl)methyl]-3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanamide?
N-[(3-methoxy-4-propoxyphenyl)methyl]-3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanamide has a molecular weight of 399.45 g/mol, XLogP of 1.63, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxy-4-propoxyphenyl)methyl]-3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanamide is sourced from PubChem (CID 46410572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).