(1-methylpyrrol-2-yl)-[4-[2-[[2-(trifluoromethyl)-1,6-naphthyridin-5-yl]amino]ethyl]piperazin-1-yl]methanone

C21H23F3N6O — CID 24735861

IUPAC(1-methylpyrrol-2-yl)-[4-[2-[[2-(trifluoromethyl)-1,6-naphthyridin-5-yl]amino]ethyl]piperazin-1-yl]methanone
SMILESCn1cccc1C(=O)N1CCN(CCNc2nccc3nc(C(F)(F)F)ccc23)CC1
InChIInChI=1S/C21H23F3N6O/c1-28-9-2-3-17(28)20(31)30-13-11-29(12-14-30)10-8-26-19-15-4-5-18(21(22,23)24)27-16(15)6-7-25-19/h2-7,9H,8,10-14H2,1H3,(H,25,26)
InChIKeyUKPJMPCUFRMSLQ-UHFFFAOYSA-N
MW432.45 g/mol
LogP2.86
Rot. Bonds5

About (1-methylpyrrol-2-yl)-[4-[2-[[2-(trifluoromethyl)-1,6-naphthyridin-5-yl]amino]ethyl]piperazin-1-yl]methanone

(1-methylpyrrol-2-yl)-[4-[2-[[2-(trifluoromethyl)-1,6-naphthyridin-5-yl]amino]ethyl]piperazin-1-yl]methanone (PubChem CID 24735861) has the molecular formula C21H23F3N6O and a molecular weight of 432.45 g/mol. Its IUPAC name is (1-methylpyrrol-2-yl)-[4-[2-[[2-(trifluoromethyl)-1,6-naphthyridin-5-yl]amino]ethyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(1-methylpyrrol-2-yl)-[4-[2-[[2-(trifluoromethyl)-1,6-naphthyridin-5-yl]amino]ethyl]piperazin-1-yl]methanone
PubChem CID24735861
Molecular FormulaC21H23F3N6O
Molecular Weight432.45 g/mol
Exact Mass432.19
IUPAC Name(1-methylpyrrol-2-yl)-[4-[2-[[2-(trifluoromethyl)-1,6-naphthyridin-5-yl]amino]ethyl]piperazin-1-yl]methanone
SMILESCn1cccc1C(=O)N1CCN(CCNc2nccc3nc(C(F)(F)F)ccc23)CC1
InChIInChI=1S/C21H23F3N6O/c1-28-9-2-3-17(28)20(31)30-13-11-29(12-14-30)10-8-26-19-15-4-5-18(21(22,23)24)27-16(15)6-7-25-19/h2-7,9H,8,10-14H2,1H3,(H,25,26)
InChIKeyUKPJMPCUFRMSLQ-UHFFFAOYSA-N
XLogP2.86
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.45
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-[[2-(trifluoromethyl)-1,6-naphthyridin-5-yl]amino]piperidin-1-yl]ethanone
CID 24734928
ethyl 2-[[4-[2-[[8-phenyl-2-(trifluoromethyl)-1,6-naphthyridin-5-yl]amino]ethyl]piperazine-1-carbonyl]amino]acetate
CID 24735896
N-[2-[4-[2-(trifluoromethyl)-1,6-naphthyridin-5-yl]piperazin-1-yl]ethyl]pyridine-3-carboxamide
CID 24735489
1-[4-[2-[(2-phenylquinazolin-4-yl)amino]ethyl]piperazin-1-yl]ethanone
CID 60502729
[2-amino-4-(butylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(1-methylpyrrol-2-yl)methanone
CID 71695914
(1-methylpyrrol-2-yl)-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methanone
CID 71977597
1-[4-[2-[(7-chloroquinazolin-4-yl)amino]ethyl]piperazin-1-yl]ethanone
CID 87014727
[4-(fluoromethyl)piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 126791630
[4-(difluoromethylidene)piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 126829415
tert-butyl 4-[3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propyl]piperazine-1-carboxylate
CID 60507645
N-(piperidin-4-ylmethyl)-2-(trifluoromethyl)-1,6-naphthyridin-5-amine;hydrate;hydrochloride
CID 44890802
5-methyl-N-[2-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]ethyl]-1,6-naphthyridin-2-amine
CID 25120570

Frequently Asked Questions

What is the IUPAC name of (1-methylpyrrol-2-yl)-[4-[2-[[2-(trifluoromethyl)-1,6-naphthyridin-5-yl]amino]ethyl]piperazin-1-yl]methanone?
The IUPAC name of (1-methylpyrrol-2-yl)-[4-[2-[[2-(trifluoromethyl)-1,6-naphthyridin-5-yl]amino]ethyl]piperazin-1-yl]methanone (CID 24735861) is (1-methylpyrrol-2-yl)-[4-[2-[[2-(trifluoromethyl)-1,6-naphthyridin-5-yl]amino]ethyl]piperazin-1-yl]methanone.
What is the SMILES notation for (1-methylpyrrol-2-yl)-[4-[2-[[2-(trifluoromethyl)-1,6-naphthyridin-5-yl]amino]ethyl]piperazin-1-yl]methanone?
The canonical SMILES for (1-methylpyrrol-2-yl)-[4-[2-[[2-(trifluoromethyl)-1,6-naphthyridin-5-yl]amino]ethyl]piperazin-1-yl]methanone is Cn1cccc1C(=O)N1CCN(CCNc2nccc3nc(C(F)(F)F)ccc23)CC1.
What is the InChIKey of (1-methylpyrrol-2-yl)-[4-[2-[[2-(trifluoromethyl)-1,6-naphthyridin-5-yl]amino]ethyl]piperazin-1-yl]methanone?
The InChIKey is UKPJMPCUFRMSLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F3N6O/c1-28-9-2-3-17(28)20(31)30-13-11-29(12-14-30)10-8-26-19-15-4-5-18(21(22,23)24)27-16(15)6-7-25-19/h2-7,9H,8,10-14H2,1H3,(H,25,26).
What are the key properties of (1-methylpyrrol-2-yl)-[4-[2-[[2-(trifluoromethyl)-1,6-naphthyridin-5-yl]amino]ethyl]piperazin-1-yl]methanone?
(1-methylpyrrol-2-yl)-[4-[2-[[2-(trifluoromethyl)-1,6-naphthyridin-5-yl]amino]ethyl]piperazin-1-yl]methanone has a molecular weight of 432.45 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrrol-2-yl)-[4-[2-[[2-(trifluoromethyl)-1,6-naphthyridin-5-yl]amino]ethyl]piperazin-1-yl]methanone is sourced from PubChem (CID 24735861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).