N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C20H21N5O3 — CID 87046164

IUPACN-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2c(C)nn3cccnc23)cc1N1CCCCC1=O
InChIInChI=1S/C20H21N5O3/c1-13-18(19-21-9-5-11-25(19)23-13)20(27)22-14-7-8-16(28-2)15(12-14)24-10-4-3-6-17(24)26/h5,7-9,11-12H,3-4,6,10H2,1-2H3,(H,22,27)
InChIKeyHVIYUBWOHCUSPZ-UHFFFAOYSA-N
MW379.42 g/mol
LogP2.82
Rot. Bonds4

About N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 87046164) has the molecular formula C20H21N5O3 and a molecular weight of 379.42 g/mol. Its IUPAC name is N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID87046164
Molecular FormulaC20H21N5O3
Molecular Weight379.42 g/mol
Exact Mass379.16
IUPAC NameN-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2c(C)nn3cccnc23)cc1N1CCCCC1=O
InChIInChI=1S/C20H21N5O3/c1-13-18(19-21-9-5-11-25(19)23-13)20(27)22-14-7-8-16(28-2)15(12-14)24-10-4-3-6-17(24)26/h5,7-9,11-12H,3-4,6,10H2,1-2H3,(H,22,27)
InChIKeyHVIYUBWOHCUSPZ-UHFFFAOYSA-N
XLogP2.82
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-ethoxy-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]naphthalene-1-carboxamide
CID 7687841
N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 47031679
N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3H-benzimidazole-5-carboxamide
CID 92862558
5-chloro-1-(4-fluorophenyl)-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-3-methylpyrazole-4-carboxamide
CID 55657030
N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-1,2-oxazole-3-carboxamide
CID 71935216
4-bromo-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]benzamide
CID 7687877
ethyl N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]carbamate
CID 7687938
N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]pyridine-3-carboxamide
CID 35390097
3,4-dichloro-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7687099
4-(benzimidazol-1-yl)-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]benzamide
CID 55692127
N-(4-ethoxy-3-fluorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 87030954
2,4-dichloro-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]benzamide
CID 7687863

Frequently Asked Questions

What is the IUPAC name of N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 87046164) is N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide is COc1ccc(NC(=O)c2c(C)nn3cccnc23)cc1N1CCCCC1=O.
What is the InChIKey of N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is HVIYUBWOHCUSPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O3/c1-13-18(19-21-9-5-11-25(19)23-13)20(27)22-14-7-8-16(28-2)15(12-14)24-10-4-3-6-17(24)26/h5,7-9,11-12H,3-4,6,10H2,1-2H3,(H,22,27).
What are the key properties of N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 379.42 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 87046164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).