N-[3-[2-(difluoromethoxy)-5-methylsulfanylphenyl]-1-[2-[4-[2-morpholin-4-ylethyl(oxetan-3-yl)amino]piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C34H41F2N9O5S — CID 129177947

IUPACN-[3-[2-(difluoromethoxy)-5-methylsulfanylphenyl]-1-[2-[4-[2-morpholin-4-ylethyl(oxetan-3-yl)amino]piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCSc1ccc(OC(F)F)c(-c2nn(CC(=O)N3CCC(N(CCN4CCOCC4)C4COC4)CC3)cc2NC(=O)c2cnn3cccnc23)c1
InChIInChI=1S/C34H41F2N9O5S/c1-51-25-3-4-29(50-34(35)36)26(17-25)31-28(39-33(47)27-18-38-45-8-2-7-37-32(27)45)19-43(40-31)20-30(46)42-9-5-23(6-10-42)44(24-21-49-22-24)12-11-41-13-15-48-16-14-41/h2-4,7-8,17-19,23-24,34H,5-6,9-16,20-22H2,1H3,(H,39,47)
InChIKeyXHTABJJXUMDMKB-UHFFFAOYSA-N
MW725.82 g/mol
LogP3.19
Rot. Bonds13

About N-[3-[2-(difluoromethoxy)-5-methylsulfanylphenyl]-1-[2-[4-[2-morpholin-4-ylethyl(oxetan-3-yl)amino]piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[3-[2-(difluoromethoxy)-5-methylsulfanylphenyl]-1-[2-[4-[2-morpholin-4-ylethyl(oxetan-3-yl)amino]piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 129177947) has the molecular formula C34H41F2N9O5S and a molecular weight of 725.82 g/mol. Its IUPAC name is N-[3-[2-(difluoromethoxy)-5-methylsulfanylphenyl]-1-[2-[4-[2-morpholin-4-ylethyl(oxetan-3-yl)amino]piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[2-(difluoromethoxy)-5-methylsulfanylphenyl]-1-[2-[4-[2-morpholin-4-ylethyl(oxetan-3-yl)amino]piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID129177947
Molecular FormulaC34H41F2N9O5S
Molecular Weight725.82 g/mol
Exact Mass725.29
IUPAC NameN-[3-[2-(difluoromethoxy)-5-methylsulfanylphenyl]-1-[2-[4-[2-morpholin-4-ylethyl(oxetan-3-yl)amino]piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCSc1ccc(OC(F)F)c(-c2nn(CC(=O)N3CCC(N(CCN4CCOCC4)C4COC4)CC3)cc2NC(=O)c2cnn3cccnc23)c1
InChIInChI=1S/C34H41F2N9O5S/c1-51-25-3-4-29(50-34(35)36)26(17-25)31-28(39-33(47)27-18-38-45-8-2-7-37-32(27)45)19-43(40-31)20-30(46)42-9-5-23(6-10-42)44(24-21-49-22-24)12-11-41-13-15-48-16-14-41/h2-4,7-8,17-19,23-24,34H,5-6,9-16,20-22H2,1H3,(H,39,47)
InChIKeyXHTABJJXUMDMKB-UHFFFAOYSA-N
XLogP3.19
TPSA131.59 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds13
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500725.82
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

Analyze N-[3-[2-(difluoromethoxy)-5-methylsulfanylphenyl]-1-[2-[4-[2-morpholin-4-ylethyl(oxetan-3-yl)amino]piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(difluoromethoxy)-5-methylsulfanylphenyl]-1-[2-[4-[2-morpholin-4-ylethyl(oxetan-3-yl)amino]piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[3-[2-(difluoromethoxy)-5-methylsulfanylphenyl]-1-[2-[4-[2-morpholin-4-ylethyl(oxetan-3-yl)amino]piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 129177947) is N-[3-[2-(difluoromethoxy)-5-methylsulfanylphenyl]-1-[2-[4-[2-morpholin-4-ylethyl(oxetan-3-yl)amino]piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[3-[2-(difluoromethoxy)-5-methylsulfanylphenyl]-1-[2-[4-[2-morpholin-4-ylethyl(oxetan-3-yl)amino]piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[3-[2-(difluoromethoxy)-5-methylsulfanylphenyl]-1-[2-[4-[2-morpholin-4-ylethyl(oxetan-3-yl)amino]piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CSc1ccc(OC(F)F)c(-c2nn(CC(=O)N3CCC(N(CCN4CCOCC4)C4COC4)CC3)cc2NC(=O)c2cnn3cccnc23)c1.
What is the InChIKey of N-[3-[2-(difluoromethoxy)-5-methylsulfanylphenyl]-1-[2-[4-[2-morpholin-4-ylethyl(oxetan-3-yl)amino]piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is XHTABJJXUMDMKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H41F2N9O5S/c1-51-25-3-4-29(50-34(35)36)26(17-25)31-28(39-33(47)27-18-38-45-8-2-7-37-32(27)45)19-43(40-31)20-30(46)42-9-5-23(6-10-42)44(24-21-49-22-24)12-11-41-13-15-48-16-14-41/h2-4,7-8,17-19,23-24,34H,5-6,9-16,20-22H2,1H3,(H,39,47).
What are the key properties of N-[3-[2-(difluoromethoxy)-5-methylsulfanylphenyl]-1-[2-[4-[2-morpholin-4-ylethyl(oxetan-3-yl)amino]piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[3-[2-(difluoromethoxy)-5-methylsulfanylphenyl]-1-[2-[4-[2-morpholin-4-ylethyl(oxetan-3-yl)amino]piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 725.82 g/mol, XLogP of 3.19, 13 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(difluoromethoxy)-5-methylsulfanylphenyl]-1-[2-[4-[2-morpholin-4-ylethyl(oxetan-3-yl)amino]piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 129177947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).