N-[(8-methoxyquinolin-5-yl)methyl]-N,6-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C20H19N5O2 — CID 74242304

IUPACN-[(8-methoxyquinolin-5-yl)methyl]-N,6-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1ccc(CN(C)C(=O)c2cnn3cc(C)cnc23)c2cccnc12
InChIInChI=1S/C20H19N5O2/c1-13-9-22-19-16(10-23-25(19)11-13)20(26)24(2)12-14-6-7-17(27-3)18-15(14)5-4-8-21-18/h4-11H,12H2,1-3H3
InChIKeySHFOFQXOSGHLBL-UHFFFAOYSA-N
MW361.41 g/mol
LogP2.87
Rot. Bonds4

About N-[(8-methoxyquinolin-5-yl)methyl]-N,6-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[(8-methoxyquinolin-5-yl)methyl]-N,6-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 74242304) has the molecular formula C20H19N5O2 and a molecular weight of 361.41 g/mol. Its IUPAC name is N-[(8-methoxyquinolin-5-yl)methyl]-N,6-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[(8-methoxyquinolin-5-yl)methyl]-N,6-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID74242304
Molecular FormulaC20H19N5O2
Molecular Weight361.41 g/mol
Exact Mass361.15
IUPAC NameN-[(8-methoxyquinolin-5-yl)methyl]-N,6-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1ccc(CN(C)C(=O)c2cnn3cc(C)cnc23)c2cccnc12
InChIInChI=1S/C20H19N5O2/c1-13-9-22-19-16(10-23-25(19)11-13)20(26)24(2)12-14-6-7-17(27-3)18-15(14)5-4-8-21-18/h4-11H,12H2,1-3H3
InChIKeySHFOFQXOSGHLBL-UHFFFAOYSA-N
XLogP2.87
TPSA72.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(8-methoxyquinolin-5-yl)methyl]-N,6-dimethyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 74242827
N-[(8-methoxyquinolin-5-yl)methyl]-N-methyl-1-propan-2-ylpyrazole-4-carboxamide
CID 70730340
2-ethyl-N-[(8-methoxyquinolin-5-yl)methyl]-N,4-dimethyl-1,3-oxazole-5-carboxamide
CID 77089417
1-[(8-methoxyquinolin-5-yl)methyl]-1-methyl-3-[(2S)-2-methylbutyl]urea
CID 126435880
N,6-dimethyl-N-[(2S)-1-(3-methyl-2-pyridinyl)propan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 95509735
N,6-dimethyl-N-[1-(3-methyl-2-pyridinyl)propan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 56865935
3-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-[(8-methoxyquinolin-5-yl)methyl]-1-methylurea
CID 119058607
N-[(8-methoxyquinolin-5-yl)methyl]-N-methyl-2-morpholin-2-ylacetamide
CID 77092764
ethyl 2-[(8-methoxyquinoline-5-carbonyl)-methylamino]acetate
CID 10470169
N-[(8-methoxyquinolin-5-yl)methyl]-N-methyl-3-[(2R)-2-phenylpropyl]-1,2-oxazole-5-carboxamide
CID 42498875
N-[(2-ethoxy-3-pyridinyl)methyl]-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 53184947
(2R)-2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(8-methoxyquinolin-5-yl)methyl]-N-methylacetamide
CID 97156555

Frequently Asked Questions

What is the IUPAC name of N-[(8-methoxyquinolin-5-yl)methyl]-N,6-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[(8-methoxyquinolin-5-yl)methyl]-N,6-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 74242304) is N-[(8-methoxyquinolin-5-yl)methyl]-N,6-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[(8-methoxyquinolin-5-yl)methyl]-N,6-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[(8-methoxyquinolin-5-yl)methyl]-N,6-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide is COc1ccc(CN(C)C(=O)c2cnn3cc(C)cnc23)c2cccnc12.
What is the InChIKey of N-[(8-methoxyquinolin-5-yl)methyl]-N,6-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is SHFOFQXOSGHLBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2/c1-13-9-22-19-16(10-23-25(19)11-13)20(26)24(2)12-14-6-7-17(27-3)18-15(14)5-4-8-21-18/h4-11H,12H2,1-3H3.
What are the key properties of N-[(8-methoxyquinolin-5-yl)methyl]-N,6-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[(8-methoxyquinolin-5-yl)methyl]-N,6-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 361.41 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(8-methoxyquinolin-5-yl)methyl]-N,6-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 74242304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).