N-[1-(7-methoxy-4-methylquinolin-2-yl)piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide

C22H27N5O2 — CID 172903824

IUPACN-[1-(7-methoxy-4-methylquinolin-2-yl)piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide
SMILESCOc1ccc2c(C)cc(N3CCCC(NC(=O)c4cc(C)n(C)n4)C3)nc2c1
InChIInChI=1S/C22H27N5O2/c1-14-10-21(24-19-12-17(29-4)7-8-18(14)19)27-9-5-6-16(13-27)23-22(28)20-11-15(2)26(3)25-20/h7-8,10-12,16H,5-6,9,13H2,1-4H3,(H,23,28)
InChIKeyBYYOMJONWYVLTK-UHFFFAOYSA-N
MW393.49 g/mol
LogP2.99
Rot. Bonds4

About N-[1-(7-methoxy-4-methylquinolin-2-yl)piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide

N-[1-(7-methoxy-4-methylquinolin-2-yl)piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide (PubChem CID 172903824) has the molecular formula C22H27N5O2 and a molecular weight of 393.49 g/mol. Its IUPAC name is N-[1-(7-methoxy-4-methylquinolin-2-yl)piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(7-methoxy-4-methylquinolin-2-yl)piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide
PubChem CID172903824
Molecular FormulaC22H27N5O2
Molecular Weight393.49 g/mol
Exact Mass393.22
IUPAC NameN-[1-(7-methoxy-4-methylquinolin-2-yl)piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide
SMILESCOc1ccc2c(C)cc(N3CCCC(NC(=O)c4cc(C)n(C)n4)C3)nc2c1
InChIInChI=1S/C22H27N5O2/c1-14-10-21(24-19-12-17(29-4)7-8-18(14)19)27-9-5-6-16(13-27)23-22(28)20-11-15(2)26(3)25-20/h7-8,10-12,16H,5-6,9,13H2,1-4H3,(H,23,28)
InChIKeyBYYOMJONWYVLTK-UHFFFAOYSA-N
XLogP2.99
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(6-chloroquinoxalin-2-yl)piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide
CID 172903697
1-(7-methoxy-4-methylquinolin-2-yl)piperidine-3-carboxamide
CID 172900595
1,5-dimethyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-3-yl]pyrazole-3-carboxamide
CID 172900391
N-[(3R)-1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide
CID 95629403
N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide
CID 172899622
N-[1-(2-methoxyethyl)piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide
CID 172899699
1,5-dimethyl-N-[1-(1,3-thiazol-2-yl)piperidin-3-yl]pyrazole-3-carboxamide
CID 172899582
N-[1-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide
CID 172902803
1,5-dimethyl-N-(1-pyrido[2,3-d]pyrimidin-4-ylpiperidin-3-yl)pyrazole-3-carboxamide
CID 175650497
N-[1-(4-methylquinolin-2-yl)piperidin-3-yl]cyclopropanecarboxamide
CID 155974621
1,5-dimethyl-N-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]pyrazole-3-carboxamide
CID 172900070
1,5-dimethyl-N-[1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-3-yl]pyrazole-3-carboxamide
CID 172903005

Frequently Asked Questions

What is the IUPAC name of N-[1-(7-methoxy-4-methylquinolin-2-yl)piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-[1-(7-methoxy-4-methylquinolin-2-yl)piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide (CID 172903824) is N-[1-(7-methoxy-4-methylquinolin-2-yl)piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[1-(7-methoxy-4-methylquinolin-2-yl)piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-[1-(7-methoxy-4-methylquinolin-2-yl)piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide is COc1ccc2c(C)cc(N3CCCC(NC(=O)c4cc(C)n(C)n4)C3)nc2c1.
What is the InChIKey of N-[1-(7-methoxy-4-methylquinolin-2-yl)piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide?
The InChIKey is BYYOMJONWYVLTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O2/c1-14-10-21(24-19-12-17(29-4)7-8-18(14)19)27-9-5-6-16(13-27)23-22(28)20-11-15(2)26(3)25-20/h7-8,10-12,16H,5-6,9,13H2,1-4H3,(H,23,28).
What are the key properties of N-[1-(7-methoxy-4-methylquinolin-2-yl)piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide?
N-[1-(7-methoxy-4-methylquinolin-2-yl)piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide has a molecular weight of 393.49 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(7-methoxy-4-methylquinolin-2-yl)piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 172903824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).