[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]-(5-methyl-1-quinolin-2-ylpyrazol-4-yl)methanone

C23H23N7O — CID 108810847

IUPAC[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]-(5-methyl-1-quinolin-2-ylpyrazol-4-yl)methanone
SMILESCc1cc(N2CCN(C(=O)c3cnn(-c4ccc5ccccc5n4)c3C)CC2)ncn1
InChIInChI=1S/C23H23N7O/c1-16-13-22(25-15-24-16)28-9-11-29(12-10-28)23(31)19-14-26-30(17(19)2)21-8-7-18-5-3-4-6-20(18)27-21/h3-8,13-15H,9-12H2,1-2H3
InChIKeyWSERPQOQPWPXFD-UHFFFAOYSA-N
MW413.49 g/mol
LogP2.79
Rot. Bonds3

About [4-(6-methylpyrimidin-4-yl)piperazin-1-yl]-(5-methyl-1-quinolin-2-ylpyrazol-4-yl)methanone

[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]-(5-methyl-1-quinolin-2-ylpyrazol-4-yl)methanone (PubChem CID 108810847) has the molecular formula C23H23N7O and a molecular weight of 413.49 g/mol. Its IUPAC name is [4-(6-methylpyrimidin-4-yl)piperazin-1-yl]-(5-methyl-1-quinolin-2-ylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]-(5-methyl-1-quinolin-2-ylpyrazol-4-yl)methanone
PubChem CID108810847
Molecular FormulaC23H23N7O
Molecular Weight413.49 g/mol
Exact Mass413.20
IUPAC Name[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]-(5-methyl-1-quinolin-2-ylpyrazol-4-yl)methanone
SMILESCc1cc(N2CCN(C(=O)c3cnn(-c4ccc5ccccc5n4)c3C)CC2)ncn1
InChIInChI=1S/C23H23N7O/c1-16-13-22(25-15-24-16)28-9-11-29(12-10-28)23(31)19-14-26-30(17(19)2)21-8-7-18-5-3-4-6-20(18)27-21/h3-8,13-15H,9-12H2,1-2H3
InChIKeyWSERPQOQPWPXFD-UHFFFAOYSA-N
XLogP2.79
TPSA80.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.49
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(5-methyl-1-quinolin-2-ylpyrazol-4-yl)-(4-quinolin-2-ylpiperazin-1-yl)methanone
CID 108810887
[4-(4-methylquinolin-2-yl)piperazin-1-yl]-(5-methyl-1-quinolin-2-ylpyrazol-4-yl)methanone
CID 108810889
[4-(2-methyl-6-phenylpyrimidin-4-yl)piperazin-1-yl]-(5-methyl-1-quinolin-2-ylpyrazol-4-yl)methanone
CID 108810872
(2-iodophenyl)-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 108755287
(2-methoxyphenyl)-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 108755273
1'-(5-methyl-1-quinolin-2-ylpyrazole-4-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108810861
(5-methyl-1-phenylpyrazol-4-yl)-[4-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122339713
[4-(6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]-quinolin-2-ylmethanone
CID 122341955
phenyl-(4-quinolin-2-ylpiperazin-1-yl)methanone
CID 23879424
[4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-(5-methyl-1-phenylpyrazol-4-yl)methanone
CID 122339967
3-hydroxy-2-[(5-methyl-1-quinolin-2-ylpyrazole-4-carbonyl)amino]propanoic acid
CID 108801795
pyrazin-2-yl-(4-quinolin-2-ylpiperazin-1-yl)methanone
CID 108741613

Frequently Asked Questions

What is the IUPAC name of [4-(6-methylpyrimidin-4-yl)piperazin-1-yl]-(5-methyl-1-quinolin-2-ylpyrazol-4-yl)methanone?
The IUPAC name of [4-(6-methylpyrimidin-4-yl)piperazin-1-yl]-(5-methyl-1-quinolin-2-ylpyrazol-4-yl)methanone (CID 108810847) is [4-(6-methylpyrimidin-4-yl)piperazin-1-yl]-(5-methyl-1-quinolin-2-ylpyrazol-4-yl)methanone.
What is the SMILES notation for [4-(6-methylpyrimidin-4-yl)piperazin-1-yl]-(5-methyl-1-quinolin-2-ylpyrazol-4-yl)methanone?
The canonical SMILES for [4-(6-methylpyrimidin-4-yl)piperazin-1-yl]-(5-methyl-1-quinolin-2-ylpyrazol-4-yl)methanone is Cc1cc(N2CCN(C(=O)c3cnn(-c4ccc5ccccc5n4)c3C)CC2)ncn1.
What is the InChIKey of [4-(6-methylpyrimidin-4-yl)piperazin-1-yl]-(5-methyl-1-quinolin-2-ylpyrazol-4-yl)methanone?
The InChIKey is WSERPQOQPWPXFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N7O/c1-16-13-22(25-15-24-16)28-9-11-29(12-10-28)23(31)19-14-26-30(17(19)2)21-8-7-18-5-3-4-6-20(18)27-21/h3-8,13-15H,9-12H2,1-2H3.
What are the key properties of [4-(6-methylpyrimidin-4-yl)piperazin-1-yl]-(5-methyl-1-quinolin-2-ylpyrazol-4-yl)methanone?
[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]-(5-methyl-1-quinolin-2-ylpyrazol-4-yl)methanone has a molecular weight of 413.49 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-methylpyrimidin-4-yl)piperazin-1-yl]-(5-methyl-1-quinolin-2-ylpyrazol-4-yl)methanone is sourced from PubChem (CID 108810847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).