N-methyl-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[(2-propoxynaphthalen-1-yl)methyl]acetamide

C23H25N5O3 — CID 18137288

IUPACN-methyl-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[(2-propoxynaphthalen-1-yl)methyl]acetamide
SMILESCCCOc1ccc2ccccc2c1CN(C)C(=O)Cn1cnc2c(cnn2C)c1=O
InChIInChI=1S/C23H25N5O3/c1-4-11-31-20-10-9-16-7-5-6-8-17(16)19(20)13-26(2)21(29)14-28-15-24-22-18(23(28)30)12-25-27(22)3/h5-10,12,15H,4,11,13-14H2,1-3H3
InChIKeyWZYUXWJXCJOWAG-UHFFFAOYSA-N
MW419.49 g/mol
LogP2.73
Rot. Bonds7

About N-methyl-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[(2-propoxynaphthalen-1-yl)methyl]acetamide

N-methyl-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[(2-propoxynaphthalen-1-yl)methyl]acetamide (PubChem CID 18137288) has the molecular formula C23H25N5O3 and a molecular weight of 419.49 g/mol. Its IUPAC name is N-methyl-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[(2-propoxynaphthalen-1-yl)methyl]acetamide.

Molecular Properties

Compound NameN-methyl-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[(2-propoxynaphthalen-1-yl)methyl]acetamide
PubChem CID18137288
Molecular FormulaC23H25N5O3
Molecular Weight419.49 g/mol
Exact Mass419.20
IUPAC NameN-methyl-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[(2-propoxynaphthalen-1-yl)methyl]acetamide
SMILESCCCOc1ccc2ccccc2c1CN(C)C(=O)Cn1cnc2c(cnn2C)c1=O
InChIInChI=1S/C23H25N5O3/c1-4-11-31-20-10-9-16-7-5-6-8-17(16)19(20)13-26(2)21(29)14-28-15-24-22-18(23(28)30)12-25-27(22)3/h5-10,12,15H,4,11,13-14H2,1-3H3
InChIKeyWZYUXWJXCJOWAG-UHFFFAOYSA-N
XLogP2.73
TPSA82.25 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-ethyl-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-naphthalen-1-ylacetamide
CID 27559371
N-ethyl-N-methyl-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 134063303
3-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-methyl-N-[(2-propoxynaphthalen-1-yl)methyl]propanamide
CID 24622389
N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-methyl-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 38400635
N-methyl-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 51288185
N-benzyl-N-(2-methoxyethyl)-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 38701595
N-methoxy-N-methyl-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 47138210
N-methyl-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 41439109
N-methyl-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 26067761
N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 33414342
N-methyl-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(1-phenylethyl)acetamide
CID 51202548
N-benzyl-N-(furan-2-ylmethyl)-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 34907563

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[(2-propoxynaphthalen-1-yl)methyl]acetamide?
The IUPAC name of N-methyl-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[(2-propoxynaphthalen-1-yl)methyl]acetamide (CID 18137288) is N-methyl-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[(2-propoxynaphthalen-1-yl)methyl]acetamide.
What is the SMILES notation for N-methyl-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[(2-propoxynaphthalen-1-yl)methyl]acetamide?
The canonical SMILES for N-methyl-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[(2-propoxynaphthalen-1-yl)methyl]acetamide is CCCOc1ccc2ccccc2c1CN(C)C(=O)Cn1cnc2c(cnn2C)c1=O.
What is the InChIKey of N-methyl-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[(2-propoxynaphthalen-1-yl)methyl]acetamide?
The InChIKey is WZYUXWJXCJOWAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O3/c1-4-11-31-20-10-9-16-7-5-6-8-17(16)19(20)13-26(2)21(29)14-28-15-24-22-18(23(28)30)12-25-27(22)3/h5-10,12,15H,4,11,13-14H2,1-3H3.
What are the key properties of N-methyl-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[(2-propoxynaphthalen-1-yl)methyl]acetamide?
N-methyl-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[(2-propoxynaphthalen-1-yl)methyl]acetamide has a molecular weight of 419.49 g/mol, XLogP of 2.73, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[(2-propoxynaphthalen-1-yl)methyl]acetamide is sourced from PubChem (CID 18137288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).