CID 172756163

C20H17F3N2NaO — CID 172756163

IUPAC—
SMILESFC(F)(F)c1ccc(-c2ccc3c(n2)CCN(Cc2ccccc2)C3)o1.[Na]
InChIInChI=1S/C20H17F3N2O.Na/c21-20(22,23)19-9-8-18(26-19)17-7-6-15-13-25(11-10-16(15)24-17)12-14-4-2-1-3-5-14;/h1-9H,10-13H2;
InChIKeyLAXRFHWYFJTSBJ-UHFFFAOYSA-N
MW381.35 g/mol
LogP4.54
Rot. Bonds3

About CID 172756163

CID 172756163 (PubChem CID 172756163) has the molecular formula C20H17F3N2NaO and a molecular weight of 381.35 g/mol.

Molecular Properties

Compound NameCID 172756163
PubChem CID172756163
Molecular FormulaC20H17F3N2NaO
Molecular Weight381.35 g/mol
Exact Mass381.12
IUPAC Name—
SMILESFC(F)(F)c1ccc(-c2ccc3c(n2)CCN(Cc2ccccc2)C3)o1.[Na]
InChIInChI=1S/C20H17F3N2O.Na/c21-20(22,23)19-9-8-18(26-19)17-7-6-15-13-25(11-10-16(15)24-17)12-14-4-2-1-3-5-14;/h1-9H,10-13H2;
InChIKeyLAXRFHWYFJTSBJ-UHFFFAOYSA-N
XLogP4.54
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.35
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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6-benzyl-7,8-dihydro-5H-1,6-naphthyridine-2-carboxylic acid
CID 46839896
6-benzyl-2-methylsulfanyl-5,7,8,9-tetrahydropyrido[3,2-c]azepine
CID 70857995
(6-benzyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)methylcarbamic acid
CID 22335219
2-phenyl-6-[[6-[3-(trifluoromethyl)phenyl]-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24913972
2-tert-butyl-6-(3,3,3-trifluoropropyl)-7,8-dihydro-5H-1,6-naphthyridine
CID 129100146
3-[2-[4-phenylmethoxy-2-(trifluoromethyl)phenyl]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]propanoic acid
CID 126618757
1-[4-(6-benzyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)phenyl]-4,4-difluoro-3H-acridine
CID 151824197
2-methyl-6-[[5-[2-(trifluoromethyl)phenyl]furan-2-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24910734
6-[[6-(2-chlorophenyl)-3-pyridinyl]methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24914110
6-benzyl-2-[[4-(trifluoromethyl)phenyl]methylamino]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
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Frequently Asked Questions

What is the IUPAC name of CID 172756163?
The IUPAC name of CID 172756163 (CID 172756163) is not available.
What is the SMILES notation for CID 172756163?
The canonical SMILES for CID 172756163 is FC(F)(F)c1ccc(-c2ccc3c(n2)CCN(Cc2ccccc2)C3)o1.[Na].
What is the InChIKey of CID 172756163?
The InChIKey is LAXRFHWYFJTSBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N2O.Na/c21-20(22,23)19-9-8-18(26-19)17-7-6-15-13-25(11-10-16(15)24-17)12-14-4-2-1-3-5-14;/h1-9H,10-13H2;.
What are the key properties of CID 172756163?
CID 172756163 has a molecular weight of 381.35 g/mol, XLogP of 4.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 172756163 is sourced from PubChem (CID 172756163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).