N-[3-(difluoromethyl)-1-[4-[[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]methoxy]piperidin-1-yl]methyl]cyclohexyl]pyrazol-4-yl]-5-[[(1R,2S)-2-hydroxycyclohexyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C43H50F2N10O7 — CID 157385731

IUPACN-[3-(difluoromethyl)-1-[4-[[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]methoxy]piperidin-1-yl]methyl]cyclohexyl]pyrazol-4-yl]-5-[[(1R,2S)-2-hydroxycyclohexyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C1CCC(N2C(=O)c3cccc(COC4CCN(CC5CCC(n6cc(NC(=O)c7cnn8ccc(N[C@@H]9CCCC[C@@H]9O)nc78)c(C(F)F)n6)CC5)CC4)c3C2=O)C(=O)N1
InChIInChI=1S/C43H50F2N10O7/c44-38(45)37-31(48-40(58)29-20-46-53-19-16-34(49-39(29)53)47-30-6-1-2-7-33(30)56)22-54(51-37)26-10-8-24(9-11-26)21-52-17-14-27(15-18-52)62-23-25-4-3-5-28-36(25)43(61)55(42(28)60)32-12-13-35(57)50-41(32)59/h3-5,16,19-20,22,24,26-27,30,32-33,38,56H,1-2,6-15,17-18,21,23H2,(H,47,49)(H,48,58)(H,50,57,59)/t24?,26?,30-,32?,33+/m1/s1
InChIKeyBLKDTXNEYNJJPX-RIFYONGISA-N
MW856.93 g/mol
LogP4.64
Rot. Bonds12

About N-[3-(difluoromethyl)-1-[4-[[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]methoxy]piperidin-1-yl]methyl]cyclohexyl]pyrazol-4-yl]-5-[[(1R,2S)-2-hydroxycyclohexyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[3-(difluoromethyl)-1-[4-[[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]methoxy]piperidin-1-yl]methyl]cyclohexyl]pyrazol-4-yl]-5-[[(1R,2S)-2-hydroxycyclohexyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 157385731) has the molecular formula C43H50F2N10O7 and a molecular weight of 856.93 g/mol. Its IUPAC name is N-[3-(difluoromethyl)-1-[4-[[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]methoxy]piperidin-1-yl]methyl]cyclohexyl]pyrazol-4-yl]-5-[[(1R,2S)-2-hydroxycyclohexyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(difluoromethyl)-1-[4-[[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]methoxy]piperidin-1-yl]methyl]cyclohexyl]pyrazol-4-yl]-5-[[(1R,2S)-2-hydroxycyclohexyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID157385731
Molecular FormulaC43H50F2N10O7
Molecular Weight856.93 g/mol
Exact Mass856.38
IUPAC NameN-[3-(difluoromethyl)-1-[4-[[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]methoxy]piperidin-1-yl]methyl]cyclohexyl]pyrazol-4-yl]-5-[[(1R,2S)-2-hydroxycyclohexyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C1CCC(N2C(=O)c3cccc(COC4CCN(CC5CCC(n6cc(NC(=O)c7cnn8ccc(N[C@@H]9CCCC[C@@H]9O)nc78)c(C(F)F)n6)CC5)CC4)c3C2=O)C(=O)N1
InChIInChI=1S/C43H50F2N10O7/c44-38(45)37-31(48-40(58)29-20-46-53-19-16-34(49-39(29)53)47-30-6-1-2-7-33(30)56)22-54(51-37)26-10-8-24(9-11-26)21-52-17-14-27(15-18-52)62-23-25-4-3-5-28-36(25)43(61)55(42(28)60)32-12-13-35(57)50-41(32)59/h3-5,16,19-20,22,24,26-27,30,32-33,38,56H,1-2,6-15,17-18,21,23H2,(H,47,49)(H,48,58)(H,50,57,59)/t24?,26?,30-,32?,33+/m1/s1
InChIKeyBLKDTXNEYNJJPX-RIFYONGISA-N
XLogP4.64
TPSA205.39 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds12
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500856.93
LogP ≤ 54.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze N-[3-(difluoromethyl)-1-[4-[[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]methoxy]piperidin-1-yl]methyl]cyclohexyl]pyrazol-4-yl]-5-[[(1R,2S)-2-hydroxycyclohexyl]amino]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-(difluoromethyl)-1-[4-[[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]methoxy]piperidin-1-yl]methyl]cyclohexyl]pyrazol-4-yl]-5-[[(1R,2S)-2-hydroxycyclohexyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[3-(difluoromethyl)-1-[4-[[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]methoxy]piperidin-1-yl]methyl]cyclohexyl]pyrazol-4-yl]-5-[[(1R,2S)-2-hydroxycyclohexyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 157385731) is N-[3-(difluoromethyl)-1-[4-[[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]methoxy]piperidin-1-yl]methyl]cyclohexyl]pyrazol-4-yl]-5-[[(1R,2S)-2-hydroxycyclohexyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[3-(difluoromethyl)-1-[4-[[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]methoxy]piperidin-1-yl]methyl]cyclohexyl]pyrazol-4-yl]-5-[[(1R,2S)-2-hydroxycyclohexyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[3-(difluoromethyl)-1-[4-[[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]methoxy]piperidin-1-yl]methyl]cyclohexyl]pyrazol-4-yl]-5-[[(1R,2S)-2-hydroxycyclohexyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C1CCC(N2C(=O)c3cccc(COC4CCN(CC5CCC(n6cc(NC(=O)c7cnn8ccc(N[C@@H]9CCCC[C@@H]9O)nc78)c(C(F)F)n6)CC5)CC4)c3C2=O)C(=O)N1.
What is the InChIKey of N-[3-(difluoromethyl)-1-[4-[[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]methoxy]piperidin-1-yl]methyl]cyclohexyl]pyrazol-4-yl]-5-[[(1R,2S)-2-hydroxycyclohexyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is BLKDTXNEYNJJPX-RIFYONGISA-N. The full InChI is InChI=1S/C43H50F2N10O7/c44-38(45)37-31(48-40(58)29-20-46-53-19-16-34(49-39(29)53)47-30-6-1-2-7-33(30)56)22-54(51-37)26-10-8-24(9-11-26)21-52-17-14-27(15-18-52)62-23-25-4-3-5-28-36(25)43(61)55(42(28)60)32-12-13-35(57)50-41(32)59/h3-5,16,19-20,22,24,26-27,30,32-33,38,56H,1-2,6-15,17-18,21,23H2,(H,47,49)(H,48,58)(H,50,57,59)/t24?,26?,30-,32?,33+/m1/s1.
What are the key properties of N-[3-(difluoromethyl)-1-[4-[[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]methoxy]piperidin-1-yl]methyl]cyclohexyl]pyrazol-4-yl]-5-[[(1R,2S)-2-hydroxycyclohexyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[3-(difluoromethyl)-1-[4-[[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]methoxy]piperidin-1-yl]methyl]cyclohexyl]pyrazol-4-yl]-5-[[(1R,2S)-2-hydroxycyclohexyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 856.93 g/mol, XLogP of 4.64, 12 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(difluoromethyl)-1-[4-[[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]methoxy]piperidin-1-yl]methyl]cyclohexyl]pyrazol-4-yl]-5-[[(1R,2S)-2-hydroxycyclohexyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 157385731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).