N-[6-[4-(2,2-difluoroethyl)piperazin-1-yl]-2-[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-4-fluoro-1-oxo-3H-isoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]indazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C44H49F3N12O4 — CID 166536903

IUPACN-[6-[4-(2,2-difluoroethyl)piperazin-1-yl]-2-[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-4-fluoro-1-oxo-3H-isoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]indazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C1CCC(N2Cc3c(ccc(N4CCC(CN5CCC(n6cc7cc(NC(=O)c8cnn9cccnc89)c(N8CCN(CC(F)F)CC8)cc7n6)CC5)CC4)c3F)C2=O)C(=O)N1
InChIInChI=1S/C44H49F3N12O4/c45-38(46)26-54-16-18-56(19-17-54)37-21-33-28(20-34(37)50-42(61)31-22-49-58-11-1-10-48-41(31)58)24-59(52-33)29-8-12-53(13-9-29)23-27-6-14-55(15-7-27)35-3-2-30-32(40(35)47)25-57(44(30)63)36-4-5-39(60)51-43(36)62/h1-3,10-11,20-22,24,27,29,36,38H,4-9,12-19,23,25-26H2,(H,50,61)(H,51,60,62)
InChIKeyCFMKCFWCLPKHBZ-UHFFFAOYSA-N
MW866.95 g/mol
LogP4.17
Rot. Bonds10

About N-[6-[4-(2,2-difluoroethyl)piperazin-1-yl]-2-[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-4-fluoro-1-oxo-3H-isoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]indazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[6-[4-(2,2-difluoroethyl)piperazin-1-yl]-2-[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-4-fluoro-1-oxo-3H-isoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]indazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 166536903) has the molecular formula C44H49F3N12O4 and a molecular weight of 866.95 g/mol. Its IUPAC name is N-[6-[4-(2,2-difluoroethyl)piperazin-1-yl]-2-[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-4-fluoro-1-oxo-3H-isoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]indazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[6-[4-(2,2-difluoroethyl)piperazin-1-yl]-2-[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-4-fluoro-1-oxo-3H-isoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]indazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID166536903
Molecular FormulaC44H49F3N12O4
Molecular Weight866.95 g/mol
Exact Mass866.40
IUPAC NameN-[6-[4-(2,2-difluoroethyl)piperazin-1-yl]-2-[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-4-fluoro-1-oxo-3H-isoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]indazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C1CCC(N2Cc3c(ccc(N4CCC(CN5CCC(n6cc7cc(NC(=O)c8cnn9cccnc89)c(N8CCN(CC(F)F)CC8)cc7n6)CC5)CC4)c3F)C2=O)C(=O)N1
InChIInChI=1S/C44H49F3N12O4/c45-38(46)26-54-16-18-56(19-17-54)37-21-33-28(20-34(37)50-42(61)31-22-49-58-11-1-10-48-41(31)58)24-59(52-33)29-8-12-53(13-9-29)23-27-6-14-55(15-7-27)35-3-2-30-32(40(35)47)25-57(44(30)63)36-4-5-39(60)51-43(36)62/h1-3,10-11,20-22,24,27,29,36,38H,4-9,12-19,23,25-26H2,(H,50,61)(H,51,60,62)
InChIKeyCFMKCFWCLPKHBZ-UHFFFAOYSA-N
XLogP4.17
TPSA156.55 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds10
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500866.95
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze N-[6-[4-(2,2-difluoroethyl)piperazin-1-yl]-2-[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-4-fluoro-1-oxo-3H-isoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]indazol-5-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-[6-[4-(2,2-difluoroethyl)piperazin-1-yl]-2-[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-4-fluoro-1-oxo-3H-isoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]indazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[6-[4-(2,2-difluoroethyl)piperazin-1-yl]-2-[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-4-fluoro-1-oxo-3H-isoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]indazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 166536903) is N-[6-[4-(2,2-difluoroethyl)piperazin-1-yl]-2-[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-4-fluoro-1-oxo-3H-isoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]indazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[6-[4-(2,2-difluoroethyl)piperazin-1-yl]-2-[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-4-fluoro-1-oxo-3H-isoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]indazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[6-[4-(2,2-difluoroethyl)piperazin-1-yl]-2-[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-4-fluoro-1-oxo-3H-isoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]indazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C1CCC(N2Cc3c(ccc(N4CCC(CN5CCC(n6cc7cc(NC(=O)c8cnn9cccnc89)c(N8CCN(CC(F)F)CC8)cc7n6)CC5)CC4)c3F)C2=O)C(=O)N1.
What is the InChIKey of N-[6-[4-(2,2-difluoroethyl)piperazin-1-yl]-2-[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-4-fluoro-1-oxo-3H-isoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]indazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is CFMKCFWCLPKHBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H49F3N12O4/c45-38(46)26-54-16-18-56(19-17-54)37-21-33-28(20-34(37)50-42(61)31-22-49-58-11-1-10-48-41(31)58)24-59(52-33)29-8-12-53(13-9-29)23-27-6-14-55(15-7-27)35-3-2-30-32(40(35)47)25-57(44(30)63)36-4-5-39(60)51-43(36)62/h1-3,10-11,20-22,24,27,29,36,38H,4-9,12-19,23,25-26H2,(H,50,61)(H,51,60,62).
What are the key properties of N-[6-[4-(2,2-difluoroethyl)piperazin-1-yl]-2-[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-4-fluoro-1-oxo-3H-isoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]indazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[6-[4-(2,2-difluoroethyl)piperazin-1-yl]-2-[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-4-fluoro-1-oxo-3H-isoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]indazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 866.95 g/mol, XLogP of 4.17, 10 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-(2,2-difluoroethyl)piperazin-1-yl]-2-[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-4-fluoro-1-oxo-3H-isoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]indazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 166536903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).