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

C24H24FN5O3 — CID 42391381

IUPACN-[2-[5-[(2-fluorophenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)NCCn2ncc3c(=O)n(Cc4ccccc4F)cnc32)cc1
InChIInChI=1S/C24H24FN5O3/c1-33-19-9-6-17(7-10-19)8-11-22(31)26-12-13-30-23-20(14-28-30)24(32)29(16-27-23)15-18-4-2-3-5-21(18)25/h2-7,9-10,14,16H,8,11-13,15H2,1H3,(H,26,31)
InChIKeyHTTOJBSYSKDRQC-UHFFFAOYSA-N
MW449.49 g/mol
LogP2.54
Rot. Bonds9

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

N-[2-[5-[(2-fluorophenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-3-(4-methoxyphenyl)propanamide (PubChem CID 42391381) has the molecular formula C24H24FN5O3 and a molecular weight of 449.49 g/mol. Its IUPAC name is N-[2-[5-[(2-fluorophenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-3-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[2-[5-[(2-fluorophenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-3-(4-methoxyphenyl)propanamide
PubChem CID42391381
Molecular FormulaC24H24FN5O3
Molecular Weight449.49 g/mol
Exact Mass449.19
IUPAC NameN-[2-[5-[(2-fluorophenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)NCCn2ncc3c(=O)n(Cc4ccccc4F)cnc32)cc1
InChIInChI=1S/C24H24FN5O3/c1-33-19-9-6-17(7-10-19)8-11-22(31)26-12-13-30-23-20(14-28-30)24(32)29(16-27-23)15-18-4-2-3-5-21(18)25/h2-7,9-10,14,16H,8,11-13,15H2,1H3,(H,26,31)
InChIKeyHTTOJBSYSKDRQC-UHFFFAOYSA-N
XLogP2.54
TPSA91.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.49
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[2-[5-[(2-fluorophenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-3-(4-methoxyphenyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
4-methoxy-N-[4-({4-oxo-2H,4H,5H-pyrazolo[3,4-d]pyrimidin-2-yl}methyl)phenyl]benzamide
CID 135869417
1-(4-methoxyphenyl)-3-[4-({4-oxo-2H,4H,5H-pyrazolo[3,4-d]pyrimidin-2-yl}methyl)phenyl]urea
CID 135869429
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-amino-3-[4-(2,4-difluorophenoxy)phenyl]-1-[(3R)-1-(2-methylacryloyl)piperidin-3-yl]-1H-pyrazole-4-carboxamide
CID 90119070
5-amino-1-{(3R)-1-[(2E)-but-2-enoyl]piperidin-3-yl}-3-[4-(2,4-difluorophenoxy)phenyl]-1H-pyrazole-4-carboxamide
CID 90136268
5-amino-3-[4-(2,4-difluorophenoxy)phenyl]-1-{(3R)-1-[(2E)-4-(dimethylamino)but-2-enoyl]piperidin-3-yl}-1H-pyrazole-4-carboxamide
CID 90136348
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
N-[1-Ethyl-1-(4-methoxyphenyl)propyl]-7,7-dimethyl-5-phenyl-4,5,6,7-Tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136059349
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

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-[(2-fluorophenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-3-(4-methoxyphenyl)propanamide?
The IUPAC name of N-[2-[5-[(2-fluorophenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-3-(4-methoxyphenyl)propanamide (CID 42391381) is N-[2-[5-[(2-fluorophenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-3-(4-methoxyphenyl)propanamide.
What is the SMILES notation for N-[2-[5-[(2-fluorophenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-3-(4-methoxyphenyl)propanamide?
The canonical SMILES for N-[2-[5-[(2-fluorophenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-3-(4-methoxyphenyl)propanamide is COc1ccc(CCC(=O)NCCn2ncc3c(=O)n(Cc4ccccc4F)cnc32)cc1.
What is the InChIKey of N-[2-[5-[(2-fluorophenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-3-(4-methoxyphenyl)propanamide?
The InChIKey is HTTOJBSYSKDRQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN5O3/c1-33-19-9-6-17(7-10-19)8-11-22(31)26-12-13-30-23-20(14-28-30)24(32)29(16-27-23)15-18-4-2-3-5-21(18)25/h2-7,9-10,14,16H,8,11-13,15H2,1H3,(H,26,31).
What are the key properties of N-[2-[5-[(2-fluorophenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-3-(4-methoxyphenyl)propanamide?
N-[2-[5-[(2-fluorophenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-3-(4-methoxyphenyl)propanamide has a molecular weight of 449.49 g/mol, XLogP of 2.54, 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-fluorophenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-3-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 42391381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).