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

C17H17F2N5O3 — CID 33414342

IUPACN-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
SMILESCN(Cc1ccc(OC(F)F)cc1)C(=O)Cn1cnc2c(cnn2C)c1=O
InChIInChI=1S/C17H17F2N5O3/c1-22(8-11-3-5-12(6-4-11)27-17(18)19)14(25)9-24-10-20-15-13(16(24)26)7-21-23(15)2/h3-7,10,17H,8-9H2,1-2H3
InChIKeyWCEWAKOLXVRQCD-UHFFFAOYSA-N
MW377.35 g/mol
LogP1.39
Rot. Bonds6

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

N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide (PubChem CID 33414342) has the molecular formula C17H17F2N5O3 and a molecular weight of 377.35 g/mol. Its IUPAC name is N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide.

Molecular Properties

Compound NameN-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
PubChem CID33414342
Molecular FormulaC17H17F2N5O3
Molecular Weight377.35 g/mol
Exact Mass377.13
IUPAC NameN-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
SMILESCN(Cc1ccc(OC(F)F)cc1)C(=O)Cn1cnc2c(cnn2C)c1=O
InChIInChI=1S/C17H17F2N5O3/c1-22(8-11-3-5-12(6-4-11)27-17(18)19)14(25)9-24-10-20-15-13(16(24)26)7-21-23(15)2/h3-7,10,17H,8-9H2,1-2H3
InChIKeyWCEWAKOLXVRQCD-UHFFFAOYSA-N
XLogP1.39
TPSA82.25 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.35
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

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-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 32877486
N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-[1-(2-nitrophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetamide
CID 55643441
N-ethyl-N-methyl-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 134063303
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-methyl-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 41439109
[2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetate
CID 55495980
N-methoxy-N-methyl-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 47138210
N-benzyl-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-propan-2-ylacetamide
CID 27559502
N-benzyl-N-cyclopropyl-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 38253550
N-benzyl-N-(2-methoxyethyl)-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 38701595

Frequently Asked Questions

What is the IUPAC name of N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide?
The IUPAC name of N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide (CID 33414342) is N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide.
What is the SMILES notation for N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide?
The canonical SMILES for N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide is CN(Cc1ccc(OC(F)F)cc1)C(=O)Cn1cnc2c(cnn2C)c1=O.
What is the InChIKey of N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide?
The InChIKey is WCEWAKOLXVRQCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2N5O3/c1-22(8-11-3-5-12(6-4-11)27-17(18)19)14(25)9-24-10-20-15-13(16(24)26)7-21-23(15)2/h3-7,10,17H,8-9H2,1-2H3.
What are the key properties of N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide?
N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide has a molecular weight of 377.35 g/mol, XLogP of 1.39, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide is sourced from PubChem (CID 33414342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).