N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide

C18H20FN5O3 — CID 18137049

IUPACN-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
SMILESCCN(Cc1ccc(OC)c(F)c1)C(=O)Cn1cnc2c(cnn2C)c1=O
InChIInChI=1S/C18H20FN5O3/c1-4-23(9-12-5-6-15(27-3)14(19)7-12)16(25)10-24-11-20-17-13(18(24)26)8-21-22(17)2/h5-8,11H,4,9-10H2,1-3H3
InChIKeyRFIHXMGAGXRRPZ-UHFFFAOYSA-N
MW373.39 g/mol
LogP1.33
Rot. Bonds6

About N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide

N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide (PubChem CID 18137049) has the molecular formula C18H20FN5O3 and a molecular weight of 373.39 g/mol. Its IUPAC name is N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide.

Molecular Properties

Compound NameN-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
PubChem CID18137049
Molecular FormulaC18H20FN5O3
Molecular Weight373.39 g/mol
Exact Mass373.16
IUPAC NameN-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
SMILESCCN(Cc1ccc(OC)c(F)c1)C(=O)Cn1cnc2c(cnn2C)c1=O
InChIInChI=1S/C18H20FN5O3/c1-4-23(9-12-5-6-15(27-3)14(19)7-12)16(25)10-24-11-20-17-13(18(24)26)8-21-22(17)2/h5-8,11H,4,9-10H2,1-3H3
InChIKeyRFIHXMGAGXRRPZ-UHFFFAOYSA-N
XLogP1.33
TPSA82.25 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.39
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(5S,7R)-5-(4-ethylphenyl)-N-[(4-methoxyphenyl)methyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136252896
5,7-Difluoro-2-propan-2-yl-9-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.14,8.018,22]tricosa-1(21),4(23),5,7,15(22),16,19-heptaen-14-one
CID 155520832
5-chloro-6-(2,6-difluoro-4-methoxyphenyl)-1-[(2S)-2-methylbutyl]-3-pyrazol-1-ylpyrazin-2-one
CID 24900454
US10364238, Example 59
CID 121365158
6-[(3S,4S)-1-(4-methoxybenzyl)-4-methylpyrrolidin-3-yl]-1-(tetrahydro-2H-pyran-4-yl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
CID 135886496
US10246466, Example 75
CID 124166799
(5r,7s)-5-(4-Ethylphenyl)-N-(4-Methoxybenzyl)-7-(Trifluoromethyl)-4,5,6,7-Tetrahydropyrazolo[1,5-A]pyrimidine-3-Carboxamide
CID 135567079
5-(4-methoxyphenethyl)-6-methyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one
CID 2033978
N-(1,3-benzodioxol-5-ylmethyl)-2-(1-tert-butyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)acetamide
CID 3241462
5-(4-methoxyphenethyl)-1-(p-tolyl)-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one
CID 8031490
2-Ethyl-11-[(4-methoxyphenyl)methyl]-4-(4-phenylpiperazine-1-carbonyl)-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1(9),3,5-trien-8-one
CID 16029649
5-[(5-Acetyl-2-methoxyphenyl)methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-one
CID 2445448

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide?
The IUPAC name of N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide (CID 18137049) is N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide.
What is the SMILES notation for N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide?
The canonical SMILES for N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide is CCN(Cc1ccc(OC)c(F)c1)C(=O)Cn1cnc2c(cnn2C)c1=O.
What is the InChIKey of N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide?
The InChIKey is RFIHXMGAGXRRPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN5O3/c1-4-23(9-12-5-6-15(27-3)14(19)7-12)16(25)10-24-11-20-17-13(18(24)26)8-21-22(17)2/h5-8,11H,4,9-10H2,1-3H3.
What are the key properties of N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide?
N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide has a molecular weight of 373.39 g/mol, XLogP of 1.33, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide is sourced from PubChem (CID 18137049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).