N-[1-[4-[[4-[1-[4-[4-[(3-carbamoyl-6-piperidin-1-ylpyrazin-2-yl)amino]phenyl]piperidin-1-yl]-3-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-4-yl]amino]propan-2-yl]piperidin-1-yl]methyl]cyclohexyl]-3-(difluoromethyl)pyrazol-4-yl]-5-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C64H79F2N17O6 — CID 167036992

IUPACN-[1-[4-[[4-[1-[4-[4-[(3-carbamoyl-6-piperidin-1-ylpyrazin-2-yl)amino]phenyl]piperidin-1-yl]-3-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-4-yl]amino]propan-2-yl]piperidin-1-yl]methyl]cyclohexyl]-3-(difluoromethyl)pyrazol-4-yl]-5-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNC(=O)c1ncc(N2CCCCC2)nc1Nc1ccc(C2CCN(CC(CNc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4)C3CCN(CC4CCC(n5cc(NC(=O)c6cnn7ccc(N8CCOCC8)nc67)c(C(F)F)n5)CC4)CC3)CC2)cc1
InChIInChI=1S/C64H79F2N17O6/c65-58(66)56-50(72-62(86)48-34-70-82-28-21-52(74-61(48)82)80-29-31-89-32-30-80)39-83(76-56)47-13-7-40(8-14-47)36-77-24-19-43(20-25-77)45(33-68-49-6-4-5-44-38-81(64(88)55(44)49)51-15-16-54(84)75-63(51)87)37-78-26-17-42(18-27-78)41-9-11-46(12-10-41)71-60-57(59(67)85)69-35-53(73-60)79-22-2-1-3-23-79/h4-6,9-12,21,28,34-35,39-40,42-43,45,47,51,58,68H,1-3,7-8,13-20,22-27,29-33,36-38H2,(H2,67,85)(H,71,73)(H,72,86)(H,75,84,87)
InChIKeyDIECTTFIRZVDQT-UHFFFAOYSA-N
MW1220.44 g/mol
LogP7.39
Rot. Bonds19

About N-[1-[4-[[4-[1-[4-[4-[(3-carbamoyl-6-piperidin-1-ylpyrazin-2-yl)amino]phenyl]piperidin-1-yl]-3-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-4-yl]amino]propan-2-yl]piperidin-1-yl]methyl]cyclohexyl]-3-(difluoromethyl)pyrazol-4-yl]-5-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[1-[4-[[4-[1-[4-[4-[(3-carbamoyl-6-piperidin-1-ylpyrazin-2-yl)amino]phenyl]piperidin-1-yl]-3-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-4-yl]amino]propan-2-yl]piperidin-1-yl]methyl]cyclohexyl]-3-(difluoromethyl)pyrazol-4-yl]-5-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 167036992) has the molecular formula C64H79F2N17O6 and a molecular weight of 1220.44 g/mol. Its IUPAC name is N-[1-[4-[[4-[1-[4-[4-[(3-carbamoyl-6-piperidin-1-ylpyrazin-2-yl)amino]phenyl]piperidin-1-yl]-3-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-4-yl]amino]propan-2-yl]piperidin-1-yl]methyl]cyclohexyl]-3-(difluoromethyl)pyrazol-4-yl]-5-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-[4-[[4-[1-[4-[4-[(3-carbamoyl-6-piperidin-1-ylpyrazin-2-yl)amino]phenyl]piperidin-1-yl]-3-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-4-yl]amino]propan-2-yl]piperidin-1-yl]methyl]cyclohexyl]-3-(difluoromethyl)pyrazol-4-yl]-5-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID167036992
Molecular FormulaC64H79F2N17O6
Molecular Weight1220.44 g/mol
Exact Mass1219.64
IUPAC NameN-[1-[4-[[4-[1-[4-[4-[(3-carbamoyl-6-piperidin-1-ylpyrazin-2-yl)amino]phenyl]piperidin-1-yl]-3-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-4-yl]amino]propan-2-yl]piperidin-1-yl]methyl]cyclohexyl]-3-(difluoromethyl)pyrazol-4-yl]-5-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNC(=O)c1ncc(N2CCCCC2)nc1Nc1ccc(C2CCN(CC(CNc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4)C3CCN(CC4CCC(n5cc(NC(=O)c6cnn7ccc(N8CCOCC8)nc67)c(C(F)F)n5)CC4)CC3)CC2)cc1
InChIInChI=1S/C64H79F2N17O6/c65-58(66)56-50(72-62(86)48-34-70-82-28-21-52(74-61(48)82)80-29-31-89-32-30-80)39-83(76-56)47-13-7-40(8-14-47)36-77-24-19-43(20-25-77)45(33-68-49-6-4-5-44-38-81(64(88)55(44)49)51-15-16-54(84)75-63(51)87)37-78-26-17-42(18-27-78)41-9-11-46(12-10-41)71-60-57(59(67)85)69-35-53(73-60)79-22-2-1-3-23-79/h4-6,9-12,21,28,34-35,39-40,42-43,45,47,51,58,68H,1-3,7-8,13-20,22-27,29-33,36-38H2,(H2,67,85)(H,71,73)(H,72,86)(H,75,84,87)
InChIKeyDIECTTFIRZVDQT-UHFFFAOYSA-N
XLogP7.39
TPSA258.71 Ų
H-Bond Donors5
H-Bond Acceptors19
Rotatable Bonds19
Heavy Atoms89
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001220.44
LogP ≤ 57.39
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

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

Analyze N-[1-[4-[[4-[1-[4-[4-[(3-carbamoyl-6-piperidin-1-ylpyrazin-2-yl)amino]phenyl]piperidin-1-yl]-3-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-4-yl]amino]propan-2-yl]piperidin-1-yl]methyl]cyclohexyl]-3-(difluoromethyl)pyrazol-4-yl]-5-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[[4-[1-[4-[4-[(3-carbamoyl-6-piperidin-1-ylpyrazin-2-yl)amino]phenyl]piperidin-1-yl]-3-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-4-yl]amino]propan-2-yl]piperidin-1-yl]methyl]cyclohexyl]-3-(difluoromethyl)pyrazol-4-yl]-5-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[1-[4-[[4-[1-[4-[4-[(3-carbamoyl-6-piperidin-1-ylpyrazin-2-yl)amino]phenyl]piperidin-1-yl]-3-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-4-yl]amino]propan-2-yl]piperidin-1-yl]methyl]cyclohexyl]-3-(difluoromethyl)pyrazol-4-yl]-5-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 167036992) is N-[1-[4-[[4-[1-[4-[4-[(3-carbamoyl-6-piperidin-1-ylpyrazin-2-yl)amino]phenyl]piperidin-1-yl]-3-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-4-yl]amino]propan-2-yl]piperidin-1-yl]methyl]cyclohexyl]-3-(difluoromethyl)pyrazol-4-yl]-5-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[1-[4-[[4-[1-[4-[4-[(3-carbamoyl-6-piperidin-1-ylpyrazin-2-yl)amino]phenyl]piperidin-1-yl]-3-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-4-yl]amino]propan-2-yl]piperidin-1-yl]methyl]cyclohexyl]-3-(difluoromethyl)pyrazol-4-yl]-5-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[1-[4-[[4-[1-[4-[4-[(3-carbamoyl-6-piperidin-1-ylpyrazin-2-yl)amino]phenyl]piperidin-1-yl]-3-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-4-yl]amino]propan-2-yl]piperidin-1-yl]methyl]cyclohexyl]-3-(difluoromethyl)pyrazol-4-yl]-5-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide is NC(=O)c1ncc(N2CCCCC2)nc1Nc1ccc(C2CCN(CC(CNc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4)C3CCN(CC4CCC(n5cc(NC(=O)c6cnn7ccc(N8CCOCC8)nc67)c(C(F)F)n5)CC4)CC3)CC2)cc1.
What is the InChIKey of N-[1-[4-[[4-[1-[4-[4-[(3-carbamoyl-6-piperidin-1-ylpyrazin-2-yl)amino]phenyl]piperidin-1-yl]-3-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-4-yl]amino]propan-2-yl]piperidin-1-yl]methyl]cyclohexyl]-3-(difluoromethyl)pyrazol-4-yl]-5-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is DIECTTFIRZVDQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H79F2N17O6/c65-58(66)56-50(72-62(86)48-34-70-82-28-21-52(74-61(48)82)80-29-31-89-32-30-80)39-83(76-56)47-13-7-40(8-14-47)36-77-24-19-43(20-25-77)45(33-68-49-6-4-5-44-38-81(64(88)55(44)49)51-15-16-54(84)75-63(51)87)37-78-26-17-42(18-27-78)41-9-11-46(12-10-41)71-60-57(59(67)85)69-35-53(73-60)79-22-2-1-3-23-79/h4-6,9-12,21,28,34-35,39-40,42-43,45,47,51,58,68H,1-3,7-8,13-20,22-27,29-33,36-38H2,(H2,67,85)(H,71,73)(H,72,86)(H,75,84,87).
What are the key properties of N-[1-[4-[[4-[1-[4-[4-[(3-carbamoyl-6-piperidin-1-ylpyrazin-2-yl)amino]phenyl]piperidin-1-yl]-3-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-4-yl]amino]propan-2-yl]piperidin-1-yl]methyl]cyclohexyl]-3-(difluoromethyl)pyrazol-4-yl]-5-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[1-[4-[[4-[1-[4-[4-[(3-carbamoyl-6-piperidin-1-ylpyrazin-2-yl)amino]phenyl]piperidin-1-yl]-3-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-4-yl]amino]propan-2-yl]piperidin-1-yl]methyl]cyclohexyl]-3-(difluoromethyl)pyrazol-4-yl]-5-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 1220.44 g/mol, XLogP of 7.39, 19 rotatable bonds, 5 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[[4-[1-[4-[4-[(3-carbamoyl-6-piperidin-1-ylpyrazin-2-yl)amino]phenyl]piperidin-1-yl]-3-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-4-yl]amino]propan-2-yl]piperidin-1-yl]methyl]cyclohexyl]-3-(difluoromethyl)pyrazol-4-yl]-5-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 167036992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).