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

C42H46N10O5 — CID 166537363

IUPACN-[6-(cyclopropylmethoxy)-2-[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]indazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C1CCC(N2Cc3ccc(N4CCC(CN5CCC(n6cc7cc(NC(=O)c8cnn9cccnc89)c(OCC8CC8)cc7n6)CC5)CC4)cc3C2=O)C(=O)N1
InChIInChI=1S/C42H46N10O5/c53-38-7-6-36(41(55)46-38)50-23-28-4-5-31(19-32(28)42(50)56)49-16-8-26(9-17-49)22-48-14-10-30(11-15-48)52-24-29-18-35(37(20-34(29)47-52)57-25-27-2-3-27)45-40(54)33-21-44-51-13-1-12-43-39(33)51/h1,4-5,12-13,18-21,24,26-27,30,36H,2-3,6-11,14-17,22-23,25H2,(H,45,54)(H,46,53,55)
InChIKeyMIYWDUQSBLKKPK-UHFFFAOYSA-N
MW770.90 g/mol
LogP4.43
Rot. Bonds10

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

N-[6-(cyclopropylmethoxy)-2-[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]indazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 166537363) has the molecular formula C42H46N10O5 and a molecular weight of 770.90 g/mol. Its IUPAC name is N-[6-(cyclopropylmethoxy)-2-[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-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-(cyclopropylmethoxy)-2-[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]indazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID166537363
Molecular FormulaC42H46N10O5
Molecular Weight770.90 g/mol
Exact Mass770.37
IUPAC NameN-[6-(cyclopropylmethoxy)-2-[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]indazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C1CCC(N2Cc3ccc(N4CCC(CN5CCC(n6cc7cc(NC(=O)c8cnn9cccnc89)c(OCC8CC8)cc7n6)CC5)CC4)cc3C2=O)C(=O)N1
InChIInChI=1S/C42H46N10O5/c53-38-7-6-36(41(55)46-38)50-23-28-4-5-31(19-32(28)42(50)56)49-16-8-26(9-17-49)22-48-14-10-30(11-15-48)52-24-29-18-35(37(20-34(29)47-52)57-25-27-2-3-27)45-40(54)33-21-44-51-13-1-12-43-39(33)51/h1,4-5,12-13,18-21,24,26-27,30,36H,2-3,6-11,14-17,22-23,25H2,(H,45,54)(H,46,53,55)
InChIKeyMIYWDUQSBLKKPK-UHFFFAOYSA-N
XLogP4.43
TPSA159.30 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500770.90
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze N-[6-(cyclopropylmethoxy)-2-[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]indazol-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-[6-(cyclopropylmethoxy)-2-[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-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-(cyclopropylmethoxy)-2-[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]indazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 166537363) is N-[6-(cyclopropylmethoxy)-2-[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-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-(cyclopropylmethoxy)-2-[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-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-(cyclopropylmethoxy)-2-[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]indazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C1CCC(N2Cc3ccc(N4CCC(CN5CCC(n6cc7cc(NC(=O)c8cnn9cccnc89)c(OCC8CC8)cc7n6)CC5)CC4)cc3C2=O)C(=O)N1.
What is the InChIKey of N-[6-(cyclopropylmethoxy)-2-[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]indazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is MIYWDUQSBLKKPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H46N10O5/c53-38-7-6-36(41(55)46-38)50-23-28-4-5-31(19-32(28)42(50)56)49-16-8-26(9-17-49)22-48-14-10-30(11-15-48)52-24-29-18-35(37(20-34(29)47-52)57-25-27-2-3-27)45-40(54)33-21-44-51-13-1-12-43-39(33)51/h1,4-5,12-13,18-21,24,26-27,30,36H,2-3,6-11,14-17,22-23,25H2,(H,45,54)(H,46,53,55).
What are the key properties of N-[6-(cyclopropylmethoxy)-2-[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]indazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[6-(cyclopropylmethoxy)-2-[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-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 770.90 g/mol, XLogP of 4.43, 10 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(cyclopropylmethoxy)-2-[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-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 166537363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).