N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C21H21N5O3 — CID 86840062

IUPACN-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCC1(c2ccc(NC(=O)c3c(C)nn4cccnc34)cc2)CCC(=O)NC1=O
InChIInChI=1S/C21H21N5O3/c1-3-21(10-9-16(27)24-20(21)29)14-5-7-15(8-6-14)23-19(28)17-13(2)25-26-12-4-11-22-18(17)26/h4-8,11-12H,3,9-10H2,1-2H3,(H,23,28)(H,24,27,29)
InChIKeyOTXRDPCMCXXFIM-UHFFFAOYSA-N
MW391.43 g/mol
LogP2.37
Rot. Bonds4

About N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 86840062) has the molecular formula C21H21N5O3 and a molecular weight of 391.43 g/mol. Its IUPAC name is N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID86840062
Molecular FormulaC21H21N5O3
Molecular Weight391.43 g/mol
Exact Mass391.16
IUPAC NameN-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCC1(c2ccc(NC(=O)c3c(C)nn4cccnc34)cc2)CCC(=O)NC1=O
InChIInChI=1S/C21H21N5O3/c1-3-21(10-9-16(27)24-20(21)29)14-5-7-15(8-6-14)23-19(28)17-13(2)25-26-12-4-11-22-18(17)26/h4-8,11-12H,3,9-10H2,1-2H3,(H,23,28)(H,24,27,29)
InChIKeyOTXRDPCMCXXFIM-UHFFFAOYSA-N
XLogP2.37
TPSA105.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 86840062) is N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide is CCC1(c2ccc(NC(=O)c3c(C)nn4cccnc34)cc2)CCC(=O)NC1=O.
What is the InChIKey of N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is OTXRDPCMCXXFIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O3/c1-3-21(10-9-16(27)24-20(21)29)14-5-7-15(8-6-14)23-19(28)17-13(2)25-26-12-4-11-22-18(17)26/h4-8,11-12H,3,9-10H2,1-2H3,(H,23,28)(H,24,27,29).
What are the key properties of N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 391.43 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 86840062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).