N-[2-[1-[2-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]propan-2-yl]piperidin-4-yl]-1-oxo-6-propan-2-yloxy-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C42H45N9O7 — CID 166536996

IUPACN-[2-[1-[2-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]propan-2-yl]piperidin-4-yl]-1-oxo-6-propan-2-yloxy-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC(C)Oc1cc2c(cc1NC(=O)c1cnn3cccnc13)CN(C1CCN(C(C)(C)C3CN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)CC1)C2=O
InChIInChI=1S/C42H45N9O7/c1-23(2)58-34-18-29-24(16-32(34)45-37(53)31-19-44-50-13-5-12-43-36(31)50)20-49(39(29)55)26-10-14-48(15-11-26)42(3,4)25-21-47(22-25)27-6-7-28-30(17-27)41(57)51(40(28)56)33-8-9-35(52)46-38(33)54/h5-7,12-13,16-19,23,25-26,33H,8-11,14-15,20-22H2,1-4H3,(H,45,53)(H,46,52,54)
InChIKeyKKLDRAWGCRJUID-UHFFFAOYSA-N
MW787.88 g/mol
LogP3.51
Rot. Bonds9

About N-[2-[1-[2-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]propan-2-yl]piperidin-4-yl]-1-oxo-6-propan-2-yloxy-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[2-[1-[2-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]propan-2-yl]piperidin-4-yl]-1-oxo-6-propan-2-yloxy-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 166536996) has the molecular formula C42H45N9O7 and a molecular weight of 787.88 g/mol. Its IUPAC name is N-[2-[1-[2-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]propan-2-yl]piperidin-4-yl]-1-oxo-6-propan-2-yloxy-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[1-[2-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]propan-2-yl]piperidin-4-yl]-1-oxo-6-propan-2-yloxy-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID166536996
Molecular FormulaC42H45N9O7
Molecular Weight787.88 g/mol
Exact Mass787.34
IUPAC NameN-[2-[1-[2-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]propan-2-yl]piperidin-4-yl]-1-oxo-6-propan-2-yloxy-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC(C)Oc1cc2c(cc1NC(=O)c1cnn3cccnc13)CN(C1CCN(C(C)(C)C3CN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)CC1)C2=O
InChIInChI=1S/C42H45N9O7/c1-23(2)58-34-18-29-24(16-32(34)45-37(53)31-19-44-50-13-5-12-43-36(31)50)20-49(39(29)55)26-10-14-48(15-11-26)42(3,4)25-21-47(22-25)27-6-7-28-30(17-27)41(57)51(40(28)56)33-8-9-35(52)46-38(33)54/h5-7,12-13,16-19,23,25-26,33H,8-11,14-15,20-22H2,1-4H3,(H,45,53)(H,46,52,54)
InChIKeyKKLDRAWGCRJUID-UHFFFAOYSA-N
XLogP3.51
TPSA178.86 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500787.88
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze N-[2-[1-[2-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]propan-2-yl]piperidin-4-yl]-1-oxo-6-propan-2-yloxy-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[2-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]propan-2-yl]piperidin-4-yl]-1-oxo-6-propan-2-yloxy-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[2-[1-[2-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]propan-2-yl]piperidin-4-yl]-1-oxo-6-propan-2-yloxy-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 166536996) is N-[2-[1-[2-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]propan-2-yl]piperidin-4-yl]-1-oxo-6-propan-2-yloxy-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[2-[1-[2-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]propan-2-yl]piperidin-4-yl]-1-oxo-6-propan-2-yloxy-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[2-[1-[2-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]propan-2-yl]piperidin-4-yl]-1-oxo-6-propan-2-yloxy-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CC(C)Oc1cc2c(cc1NC(=O)c1cnn3cccnc13)CN(C1CCN(C(C)(C)C3CN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)CC1)C2=O.
What is the InChIKey of N-[2-[1-[2-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]propan-2-yl]piperidin-4-yl]-1-oxo-6-propan-2-yloxy-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is KKLDRAWGCRJUID-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H45N9O7/c1-23(2)58-34-18-29-24(16-32(34)45-37(53)31-19-44-50-13-5-12-43-36(31)50)20-49(39(29)55)26-10-14-48(15-11-26)42(3,4)25-21-47(22-25)27-6-7-28-30(17-27)41(57)51(40(28)56)33-8-9-35(52)46-38(33)54/h5-7,12-13,16-19,23,25-26,33H,8-11,14-15,20-22H2,1-4H3,(H,45,53)(H,46,52,54).
What are the key properties of N-[2-[1-[2-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]propan-2-yl]piperidin-4-yl]-1-oxo-6-propan-2-yloxy-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[2-[1-[2-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]propan-2-yl]piperidin-4-yl]-1-oxo-6-propan-2-yloxy-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 787.88 g/mol, XLogP of 3.51, 9 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[2-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]propan-2-yl]piperidin-4-yl]-1-oxo-6-propan-2-yloxy-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 166536996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).