[2-(1,3-dimethylpyrazol-4-yl)quinolin-4-yl]-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]methanone

C26H31N7O — CID 19518889

IUPAC[2-(1,3-dimethylpyrazol-4-yl)quinolin-4-yl]-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]methanone
SMILESCCn1cc(CN2CCN(C(=O)c3cc(-c4cn(C)nc4C)nc4ccccc34)CC2)c(C)n1
InChIInChI=1S/C26H31N7O/c1-5-33-16-20(18(2)29-33)15-31-10-12-32(13-11-31)26(34)22-14-25(23-17-30(4)28-19(23)3)27-24-9-7-6-8-21(22)24/h6-9,14,16-17H,5,10-13,15H2,1-4H3
InChIKeyYEOIPNHIAPLDCJ-UHFFFAOYSA-N
MW457.58 g/mol
LogP3.43
Rot. Bonds5

About [2-(1,3-dimethylpyrazol-4-yl)quinolin-4-yl]-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]methanone

[2-(1,3-dimethylpyrazol-4-yl)quinolin-4-yl]-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]methanone (PubChem CID 19518889) has the molecular formula C26H31N7O and a molecular weight of 457.58 g/mol. Its IUPAC name is [2-(1,3-dimethylpyrazol-4-yl)quinolin-4-yl]-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name[2-(1,3-dimethylpyrazol-4-yl)quinolin-4-yl]-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]methanone
PubChem CID19518889
Molecular FormulaC26H31N7O
Molecular Weight457.58 g/mol
Exact Mass457.26
IUPAC Name[2-(1,3-dimethylpyrazol-4-yl)quinolin-4-yl]-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]methanone
SMILESCCn1cc(CN2CCN(C(=O)c3cc(-c4cn(C)nc4C)nc4ccccc34)CC2)c(C)n1
InChIInChI=1S/C26H31N7O/c1-5-33-16-20(18(2)29-33)15-31-10-12-32(13-11-31)26(34)22-14-25(23-17-30(4)28-19(23)3)27-24-9-7-6-8-21(22)24/h6-9,14,16-17H,5,10-13,15H2,1-4H3
InChIKeyYEOIPNHIAPLDCJ-UHFFFAOYSA-N
XLogP3.43
TPSA72.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.58
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(1,3-dimethylpyrazol-4-yl)quinolin-4-yl]-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 19518878
[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]-[2-(1-ethyl-3-methylpyrazol-4-yl)quinolin-4-yl]methanone
CID 19518857
[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-[2-(1,3-dimethylpyrazol-4-yl)quinolin-4-yl]methanone
CID 19518876
[4-[(2-methylphenyl)methyl]piperazin-1-yl]-[2-(1-methylpyrazol-4-yl)quinolin-4-yl]methanone
CID 19518978
[2-(1,3-dimethylpyrazol-4-yl)quinolin-4-yl]-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone
CID 19518891
(4-ethylpiperazin-1-yl)-[2-(4-methylphenyl)quinolin-4-yl]methanone
CID 4202012
[2-(1-ethyl-3-methylpyrazol-4-yl)quinolin-4-yl]methanol
CID 66509490
N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-2-(1,3-dimethylpyrazol-4-yl)-N-methylquinoline-4-carboxamide
CID 19518821
2-(1,3-dimethylpyrazol-4-yl)-N-[1-ethyl-3-(phenylcarbamoyl)pyrazol-4-yl]quinoline-4-carboxamide
CID 19511939
[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-[2-(1,5-dimethylpyrazol-4-yl)quinolin-4-yl]methanone
CID 19518929
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(1-ethyl-3-methylpyrazol-4-yl)quinoline-4-carboxamide
CID 19515716
[2-(1,3-benzodioxol-5-yl)quinolin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 4586470

Frequently Asked Questions

What is the IUPAC name of [2-(1,3-dimethylpyrazol-4-yl)quinolin-4-yl]-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]methanone?
The IUPAC name of [2-(1,3-dimethylpyrazol-4-yl)quinolin-4-yl]-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]methanone (CID 19518889) is [2-(1,3-dimethylpyrazol-4-yl)quinolin-4-yl]-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for [2-(1,3-dimethylpyrazol-4-yl)quinolin-4-yl]-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for [2-(1,3-dimethylpyrazol-4-yl)quinolin-4-yl]-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]methanone is CCn1cc(CN2CCN(C(=O)c3cc(-c4cn(C)nc4C)nc4ccccc34)CC2)c(C)n1.
What is the InChIKey of [2-(1,3-dimethylpyrazol-4-yl)quinolin-4-yl]-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]methanone?
The InChIKey is YEOIPNHIAPLDCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N7O/c1-5-33-16-20(18(2)29-33)15-31-10-12-32(13-11-31)26(34)22-14-25(23-17-30(4)28-19(23)3)27-24-9-7-6-8-21(22)24/h6-9,14,16-17H,5,10-13,15H2,1-4H3.
What are the key properties of [2-(1,3-dimethylpyrazol-4-yl)quinolin-4-yl]-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]methanone?
[2-(1,3-dimethylpyrazol-4-yl)quinolin-4-yl]-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]methanone has a molecular weight of 457.58 g/mol, XLogP of 3.43, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,3-dimethylpyrazol-4-yl)quinolin-4-yl]-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 19518889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).