(5-methyl-1-quinolin-2-ylpyrazol-4-yl)-(4-quinolin-2-ylpiperazin-1-yl)methanone

C27H24N6O — CID 108810887

IUPAC(5-methyl-1-quinolin-2-ylpyrazol-4-yl)-(4-quinolin-2-ylpiperazin-1-yl)methanone
SMILESCc1c(C(=O)N2CCN(c3ccc4ccccc4n3)CC2)cnn1-c1ccc2ccccc2n1
InChIInChI=1S/C27H24N6O/c1-19-22(18-28-33(19)26-13-11-21-7-3-5-9-24(21)30-26)27(34)32-16-14-31(15-17-32)25-12-10-20-6-2-4-8-23(20)29-25/h2-13,18H,14-17H2,1H3
InChIKeyNJBOGJFQPZPTBQ-UHFFFAOYSA-N
MW448.53 g/mol
LogP4.24
Rot. Bonds3

About (5-methyl-1-quinolin-2-ylpyrazol-4-yl)-(4-quinolin-2-ylpiperazin-1-yl)methanone

(5-methyl-1-quinolin-2-ylpyrazol-4-yl)-(4-quinolin-2-ylpiperazin-1-yl)methanone (PubChem CID 108810887) has the molecular formula C27H24N6O and a molecular weight of 448.53 g/mol. Its IUPAC name is (5-methyl-1-quinolin-2-ylpyrazol-4-yl)-(4-quinolin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(5-methyl-1-quinolin-2-ylpyrazol-4-yl)-(4-quinolin-2-ylpiperazin-1-yl)methanone
PubChem CID108810887
Molecular FormulaC27H24N6O
Molecular Weight448.53 g/mol
Exact Mass448.20
IUPAC Name(5-methyl-1-quinolin-2-ylpyrazol-4-yl)-(4-quinolin-2-ylpiperazin-1-yl)methanone
SMILESCc1c(C(=O)N2CCN(c3ccc4ccccc4n3)CC2)cnn1-c1ccc2ccccc2n1
InChIInChI=1S/C27H24N6O/c1-19-22(18-28-33(19)26-13-11-21-7-3-5-9-24(21)30-26)27(34)32-16-14-31(15-17-32)25-12-10-20-6-2-4-8-23(20)29-25/h2-13,18H,14-17H2,1H3
InChIKeyNJBOGJFQPZPTBQ-UHFFFAOYSA-N
XLogP4.24
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.53
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (5-methyl-1-quinolin-2-ylpyrazol-4-yl)-(4-quinolin-2-ylpiperazin-1-yl)methanone with MolForge

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Related Compounds

[4-(4-methylquinolin-2-yl)piperazin-1-yl]-(5-methyl-1-quinolin-2-ylpyrazol-4-yl)methanone
CID 108810889
[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]-(5-methyl-1-quinolin-2-ylpyrazol-4-yl)methanone
CID 108810847
[4-(2-methyl-6-phenylpyrimidin-4-yl)piperazin-1-yl]-(5-methyl-1-quinolin-2-ylpyrazol-4-yl)methanone
CID 108810872
1'-(5-methyl-1-quinolin-2-ylpyrazole-4-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108810861
phenyl-(4-quinolin-2-ylpiperazin-1-yl)methanone
CID 23879424
ethyl 4-quinolin-2-ylpiperazine-1-carboxylate
CID 670873
2,2-dimethyl-1-(4-quinolin-2-ylpiperazin-1-yl)propan-1-one
CID 108741550
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
pyridin-3-yl-(4-quinolin-2-ylpiperazin-1-yl)methanone;hydrochloride
CID 3030200
(4-quinolin-2-ylpiperazin-1-yl)-thiophen-2-ylmethanone
CID 108741624
N-(2-aminoethyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide
CID 108788938

Frequently Asked Questions

What is the IUPAC name of (5-methyl-1-quinolin-2-ylpyrazol-4-yl)-(4-quinolin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (5-methyl-1-quinolin-2-ylpyrazol-4-yl)-(4-quinolin-2-ylpiperazin-1-yl)methanone (CID 108810887) is (5-methyl-1-quinolin-2-ylpyrazol-4-yl)-(4-quinolin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (5-methyl-1-quinolin-2-ylpyrazol-4-yl)-(4-quinolin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (5-methyl-1-quinolin-2-ylpyrazol-4-yl)-(4-quinolin-2-ylpiperazin-1-yl)methanone is Cc1c(C(=O)N2CCN(c3ccc4ccccc4n3)CC2)cnn1-c1ccc2ccccc2n1.
What is the InChIKey of (5-methyl-1-quinolin-2-ylpyrazol-4-yl)-(4-quinolin-2-ylpiperazin-1-yl)methanone?
The InChIKey is NJBOGJFQPZPTBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N6O/c1-19-22(18-28-33(19)26-13-11-21-7-3-5-9-24(21)30-26)27(34)32-16-14-31(15-17-32)25-12-10-20-6-2-4-8-23(20)29-25/h2-13,18H,14-17H2,1H3.
What are the key properties of (5-methyl-1-quinolin-2-ylpyrazol-4-yl)-(4-quinolin-2-ylpiperazin-1-yl)methanone?
(5-methyl-1-quinolin-2-ylpyrazol-4-yl)-(4-quinolin-2-ylpiperazin-1-yl)methanone has a molecular weight of 448.53 g/mol, XLogP of 4.24, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1-quinolin-2-ylpyrazol-4-yl)-(4-quinolin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 108810887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).