ethyl 5-[ethyl-[[5-fluoro-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]phenyl]methyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate

C25H32FN5O5 — CID 118265761

IUPACethyl 5-[ethyl-[[5-fluoro-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]phenyl]methyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1cnn2ccc(N(CC)Cc3cc(F)ccc3OCCNC(=O)OC(C)(C)C)nc12
InChIInChI=1S/C25H32FN5O5/c1-6-30(21-10-12-31-22(29-21)19(15-28-31)23(32)34-7-2)16-17-14-18(26)8-9-20(17)35-13-11-27-24(33)36-25(3,4)5/h8-10,12,14-15H,6-7,11,13,16H2,1-5H3,(H,27,33)
InChIKeyXOLYHXDGKMBPFH-UHFFFAOYSA-N
MW501.56 g/mol
LogP3.98
Rot. Bonds10

About ethyl 5-[ethyl-[[5-fluoro-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]phenyl]methyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate

ethyl 5-[ethyl-[[5-fluoro-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]phenyl]methyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate (PubChem CID 118265761) has the molecular formula C25H32FN5O5 and a molecular weight of 501.56 g/mol. Its IUPAC name is ethyl 5-[ethyl-[[5-fluoro-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]phenyl]methyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-[ethyl-[[5-fluoro-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]phenyl]methyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate
PubChem CID118265761
Molecular FormulaC25H32FN5O5
Molecular Weight501.56 g/mol
Exact Mass501.24
IUPAC Nameethyl 5-[ethyl-[[5-fluoro-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]phenyl]methyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1cnn2ccc(N(CC)Cc3cc(F)ccc3OCCNC(=O)OC(C)(C)C)nc12
InChIInChI=1S/C25H32FN5O5/c1-6-30(21-10-12-31-22(29-21)19(15-28-31)23(32)34-7-2)16-17-14-18(26)8-9-20(17)35-13-11-27-24(33)36-25(3,4)5/h8-10,12,14-15H,6-7,11,13,16H2,1-5H3,(H,27,33)
InChIKeyXOLYHXDGKMBPFH-UHFFFAOYSA-N
XLogP3.98
TPSA107.29 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.56
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze ethyl 5-[ethyl-[[5-fluoro-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]phenyl]methyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate 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

Repotrectinib
CID 135565923
Elzovantinib
CID 137455315
(7S)-10-fluorospiro[5,14-dioxa-2,12,17,21,22,25-hexazapentacyclo[17.5.2.02,7.08,13.022,26]hexacosa-1(25),8(13),9,11,19(26),20,23-heptaene-16,1'-cyclopropane]-18-one
CID 162506461
7-(difluoromethyl)-N-(2-methoxybenzyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 975142
Tpx-0131
CID 156024486
N-cyclopropyl-5-((2R)-2-(3-(2,3-dihydroxypropoxy)-5-fluorophenyl)pyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 66853176
(R)-N-cyclopropyl-5-(2-(5-fluoro-2-(2-morpholinoethoxy)phenyl)pyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 67500657
Trk-IN-10
CID 163196393
1-[4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methylamino]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 168270399
(16R)-10-fluoro-16-methyl-14-oxa-2,12,17,21,22,25-hexazahexacyclo[17.5.2.02,7.05,7.08,13.022,26]hexacosa-1(25),8(13),9,11,19(26),20,23-heptaen-18-one
CID 139553400
7-(difluoromethyl)-N-[2-(2-methoxyphenyl)ethyl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 2168938
(R)-5-(2-(5-fluoro-2-methoxypyridin-3-yl)pyrrolidin-1-yl)-N-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 49839233

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[ethyl-[[5-fluoro-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]phenyl]methyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The IUPAC name of ethyl 5-[ethyl-[[5-fluoro-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]phenyl]methyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate (CID 118265761) is ethyl 5-[ethyl-[[5-fluoro-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]phenyl]methyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate.
What is the SMILES notation for ethyl 5-[ethyl-[[5-fluoro-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]phenyl]methyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The canonical SMILES for ethyl 5-[ethyl-[[5-fluoro-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]phenyl]methyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate is CCOC(=O)c1cnn2ccc(N(CC)Cc3cc(F)ccc3OCCNC(=O)OC(C)(C)C)nc12.
What is the InChIKey of ethyl 5-[ethyl-[[5-fluoro-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]phenyl]methyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The InChIKey is XOLYHXDGKMBPFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32FN5O5/c1-6-30(21-10-12-31-22(29-21)19(15-28-31)23(32)34-7-2)16-17-14-18(26)8-9-20(17)35-13-11-27-24(33)36-25(3,4)5/h8-10,12,14-15H,6-7,11,13,16H2,1-5H3,(H,27,33).
What are the key properties of ethyl 5-[ethyl-[[5-fluoro-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]phenyl]methyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate?
ethyl 5-[ethyl-[[5-fluoro-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]phenyl]methyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate has a molecular weight of 501.56 g/mol, XLogP of 3.98, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[ethyl-[[5-fluoro-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]phenyl]methyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate is sourced from PubChem (CID 118265761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).