N-[3-[2-(difluoromethoxy)-5-propan-2-ylsulfanylphenyl]-1-[2-[4-[4-(oxetan-3-yl)piperazin-1-yl]piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C34H41F2N9O4S — CID 129177967

IUPACN-[3-[2-(difluoromethoxy)-5-propan-2-ylsulfanylphenyl]-1-[2-[4-[4-(oxetan-3-yl)piperazin-1-yl]piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC(C)Sc1ccc(OC(F)F)c(-c2nn(CC(=O)N3CCC(N4CCN(C5COC5)CC4)CC3)cc2NC(=O)c2cnn3cccnc23)c1
InChIInChI=1S/C34H41F2N9O4S/c1-22(2)50-25-4-5-29(49-34(35)36)26(16-25)31-28(39-33(47)27-17-38-45-9-3-8-37-32(27)45)18-44(40-31)19-30(46)43-10-6-23(7-11-43)41-12-14-42(15-13-41)24-20-48-21-24/h3-5,8-9,16-18,22-24,34H,6-7,10-15,19-21H2,1-2H3,(H,39,47)
InChIKeyMMTNMRUOSXTLLP-UHFFFAOYSA-N
MW709.82 g/mol
LogP3.95
Rot. Bonds11

About N-[3-[2-(difluoromethoxy)-5-propan-2-ylsulfanylphenyl]-1-[2-[4-[4-(oxetan-3-yl)piperazin-1-yl]piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[3-[2-(difluoromethoxy)-5-propan-2-ylsulfanylphenyl]-1-[2-[4-[4-(oxetan-3-yl)piperazin-1-yl]piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 129177967) has the molecular formula C34H41F2N9O4S and a molecular weight of 709.82 g/mol. Its IUPAC name is N-[3-[2-(difluoromethoxy)-5-propan-2-ylsulfanylphenyl]-1-[2-[4-[4-(oxetan-3-yl)piperazin-1-yl]piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[2-(difluoromethoxy)-5-propan-2-ylsulfanylphenyl]-1-[2-[4-[4-(oxetan-3-yl)piperazin-1-yl]piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID129177967
Molecular FormulaC34H41F2N9O4S
Molecular Weight709.82 g/mol
Exact Mass709.30
IUPAC NameN-[3-[2-(difluoromethoxy)-5-propan-2-ylsulfanylphenyl]-1-[2-[4-[4-(oxetan-3-yl)piperazin-1-yl]piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC(C)Sc1ccc(OC(F)F)c(-c2nn(CC(=O)N3CCC(N4CCN(C5COC5)CC4)CC3)cc2NC(=O)c2cnn3cccnc23)c1
InChIInChI=1S/C34H41F2N9O4S/c1-22(2)50-25-4-5-29(49-34(35)36)26(16-25)31-28(39-33(47)27-17-38-45-9-3-8-37-32(27)45)18-44(40-31)19-30(46)43-10-6-23(7-11-43)41-12-14-42(15-13-41)24-20-48-21-24/h3-5,8-9,16-18,22-24,34H,6-7,10-15,19-21H2,1-2H3,(H,39,47)
InChIKeyMMTNMRUOSXTLLP-UHFFFAOYSA-N
XLogP3.95
TPSA122.36 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds11
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500709.82
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Analyze N-[3-[2-(difluoromethoxy)-5-propan-2-ylsulfanylphenyl]-1-[2-[4-[4-(oxetan-3-yl)piperazin-1-yl]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-propan-2-ylsulfanylphenyl]-1-[2-[4-[4-(oxetan-3-yl)piperazin-1-yl]piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[3-[2-(difluoromethoxy)-5-propan-2-ylsulfanylphenyl]-1-[2-[4-[4-(oxetan-3-yl)piperazin-1-yl]piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 129177967) is N-[3-[2-(difluoromethoxy)-5-propan-2-ylsulfanylphenyl]-1-[2-[4-[4-(oxetan-3-yl)piperazin-1-yl]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-propan-2-ylsulfanylphenyl]-1-[2-[4-[4-(oxetan-3-yl)piperazin-1-yl]piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[3-[2-(difluoromethoxy)-5-propan-2-ylsulfanylphenyl]-1-[2-[4-[4-(oxetan-3-yl)piperazin-1-yl]piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CC(C)Sc1ccc(OC(F)F)c(-c2nn(CC(=O)N3CCC(N4CCN(C5COC5)CC4)CC3)cc2NC(=O)c2cnn3cccnc23)c1.
What is the InChIKey of N-[3-[2-(difluoromethoxy)-5-propan-2-ylsulfanylphenyl]-1-[2-[4-[4-(oxetan-3-yl)piperazin-1-yl]piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is MMTNMRUOSXTLLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H41F2N9O4S/c1-22(2)50-25-4-5-29(49-34(35)36)26(16-25)31-28(39-33(47)27-17-38-45-9-3-8-37-32(27)45)18-44(40-31)19-30(46)43-10-6-23(7-11-43)41-12-14-42(15-13-41)24-20-48-21-24/h3-5,8-9,16-18,22-24,34H,6-7,10-15,19-21H2,1-2H3,(H,39,47).
What are the key properties of N-[3-[2-(difluoromethoxy)-5-propan-2-ylsulfanylphenyl]-1-[2-[4-[4-(oxetan-3-yl)piperazin-1-yl]piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[3-[2-(difluoromethoxy)-5-propan-2-ylsulfanylphenyl]-1-[2-[4-[4-(oxetan-3-yl)piperazin-1-yl]piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 709.82 g/mol, XLogP of 3.95, 11 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(difluoromethoxy)-5-propan-2-ylsulfanylphenyl]-1-[2-[4-[4-(oxetan-3-yl)piperazin-1-yl]piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 129177967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).