5-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)-2-(trifluoromethyl)-1,6-naphthyridine

C18H17F3N6 — CID 24735017

IUPAC5-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)-2-(trifluoromethyl)-1,6-naphthyridine
SMILESFC(F)(F)c1ccc2c(N3CCCN(c4ncccn4)CC3)nccc2n1
InChIInChI=1S/C18H17F3N6/c19-18(20,21)15-4-3-13-14(25-15)5-8-22-16(13)26-9-2-10-27(12-11-26)17-23-6-1-7-24-17/h1,3-8H,2,9-12H2
InChIKeyRSRLYEBUTYVSOO-UHFFFAOYSA-N
MW374.37 g/mol
LogP3.16
Rot. Bonds2

About 5-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)-2-(trifluoromethyl)-1,6-naphthyridine

5-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)-2-(trifluoromethyl)-1,6-naphthyridine (PubChem CID 24735017) has the molecular formula C18H17F3N6 and a molecular weight of 374.37 g/mol. Its IUPAC name is 5-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)-2-(trifluoromethyl)-1,6-naphthyridine.

Molecular Properties

Compound Name5-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)-2-(trifluoromethyl)-1,6-naphthyridine
PubChem CID24735017
Molecular FormulaC18H17F3N6
Molecular Weight374.37 g/mol
Exact Mass374.15
IUPAC Name5-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)-2-(trifluoromethyl)-1,6-naphthyridine
SMILESFC(F)(F)c1ccc2c(N3CCCN(c4ncccn4)CC3)nccc2n1
InChIInChI=1S/C18H17F3N6/c19-18(20,21)15-4-3-13-14(25-15)5-8-22-16(13)26-9-2-10-27(12-11-26)17-23-6-1-7-24-17/h1,3-8H,2,9-12H2
InChIKeyRSRLYEBUTYVSOO-UHFFFAOYSA-N
XLogP3.16
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.37
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-piperazin-1-yl-2-(trifluoromethyl)-1,6-naphthyridine
CID 11514685
[1-[2-(trifluoromethyl)-1,6-naphthyridin-5-yl]piperidin-4-yl]methanamine
CID 24735477
3-[[4-[2-(trifluoromethyl)-1,6-naphthyridin-5-yl]-1,4-diazepan-1-yl]methyl]benzonitrile
CID 24735005
1-ethyl-3-[[1-[2-(trifluoromethyl)-1,6-naphthyridin-5-yl]piperidin-4-yl]methyl]urea
CID 24735472
N-[2-[4-[2-(trifluoromethyl)-1,6-naphthyridin-5-yl]piperazin-1-yl]ethyl]pyridine-3-carboxamide
CID 24735489
N-[(2-methoxyphenyl)methyl]-N-methyl-1-[1-[2-(trifluoromethyl)-1,6-naphthyridin-5-yl]piperidin-4-yl]methanamine;hydrochloride
CID 24735422
2-(2-phenylethyl)-7-[2-(trifluoromethyl)-1,6-naphthyridin-5-yl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione
CID 24735130
N-(cyclopropylmethyl)-N-[[1-[2-(trifluoromethyl)-1,6-naphthyridin-5-yl]piperidin-4-yl]methyl]thiophene-2-carboxamide;hydrochloride
CID 24735526
1-[cyclopropylmethyl-[[1-[2-(trifluoromethyl)-1,6-naphthyridin-5-yl]piperidin-4-yl]methyl]amino]-3-phenoxypropan-2-ol;hydrochloride
CID 24735520
5-phenyl-4-[4-[4-(trifluoromethyl)pyrimidin-2-yl]-1,4-diazepan-1-yl]thieno[2,3-d]pyrimidine
CID 2796246
1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-yl]azepane
CID 112898909
7-(4-pyrimidin-2-ylpiperazin-1-yl)-2,4-bis(trifluoromethyl)-1,8-naphthyridine
CID 2766446

Frequently Asked Questions

What is the IUPAC name of 5-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)-2-(trifluoromethyl)-1,6-naphthyridine?
The IUPAC name of 5-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)-2-(trifluoromethyl)-1,6-naphthyridine (CID 24735017) is 5-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)-2-(trifluoromethyl)-1,6-naphthyridine.
What is the SMILES notation for 5-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)-2-(trifluoromethyl)-1,6-naphthyridine?
The canonical SMILES for 5-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)-2-(trifluoromethyl)-1,6-naphthyridine is FC(F)(F)c1ccc2c(N3CCCN(c4ncccn4)CC3)nccc2n1.
What is the InChIKey of 5-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)-2-(trifluoromethyl)-1,6-naphthyridine?
The InChIKey is RSRLYEBUTYVSOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N6/c19-18(20,21)15-4-3-13-14(25-15)5-8-22-16(13)26-9-2-10-27(12-11-26)17-23-6-1-7-24-17/h1,3-8H,2,9-12H2.
What are the key properties of 5-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)-2-(trifluoromethyl)-1,6-naphthyridine?
5-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)-2-(trifluoromethyl)-1,6-naphthyridine has a molecular weight of 374.37 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)-2-(trifluoromethyl)-1,6-naphthyridine is sourced from PubChem (CID 24735017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).