CID 160639767

C19H26F3N3NaO2 — CID 160639767

IUPAC—
SMILESCC(C)(C)OC(=O)N1CCC2(CCN(c3ccnc(C(F)(F)F)c3)CC2)C1.[Na]
InChIInChI=1S/C19H26F3N3O2.Na/c1-17(2,3)27-16(26)25-11-7-18(13-25)5-9-24(10-6-18)14-4-8-23-15(12-14)19(20,21)22;/h4,8,12H,5-7,9-11,13H2,1-3H3;
InChIKeyRJADSDGFONHBCR-UHFFFAOYSA-N
MW408.42 g/mol
LogP3.95
Rot. Bonds1

About CID 160639767

CID 160639767 (PubChem CID 160639767) has the molecular formula C19H26F3N3NaO2 and a molecular weight of 408.42 g/mol.

Molecular Properties

Compound NameCID 160639767
PubChem CID160639767
Molecular FormulaC19H26F3N3NaO2
Molecular Weight408.42 g/mol
Exact Mass408.19
IUPAC Name—
SMILESCC(C)(C)OC(=O)N1CCC2(CCN(c3ccnc(C(F)(F)F)c3)CC2)C1.[Na]
InChIInChI=1S/C19H26F3N3O2.Na/c1-17(2,3)27-16(26)25-11-7-18(13-25)5-9-24(10-6-18)14-4-8-23-15(12-14)19(20,21)22;/h4,8,12H,5-7,9-11,13H2,1-3H3;
InChIKeyRJADSDGFONHBCR-UHFFFAOYSA-N
XLogP3.95
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.42
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8-[2-(trifluoromethyl)-4-pyridinyl]-2,8-diazaspiro[4.5]decane-2-carboxylic acid
CID 66700967
tert-butyl 7-(2-methoxy-4-pyridinyl)-2,7-diazaspiro[4.4]nonane-2-carboxylate
CID 135301753
tert-butyl 8-(6-amino-3-pyridinyl)-2,8-diazaspiro[4.5]decane-2-carboxylate
CID 170040628
tert-butyl 8-(5-fluoropyrimidin-2-yl)-2,8-diazaspiro[4.5]decane-2-carboxylate
CID 156821670
tert-butyl N-[1-[2-(trifluoromethyl)-4-pyridinyl]piperidin-4-yl]carbamate
CID 67342449
tert-butyl 8-(6-fluoro-7-methoxyquinolin-4-yl)-2,8-diazaspiro[4.5]decane-2-carboxylate
CID 157041209
tert-butyl 8-[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]-2,8-diazaspiro[4.5]decane-2-carboxylate
CID 71075803
3-methyl-8-[2-(trifluoromethyl)-4-pyridinyl]-8-azaspiro[4.5]decane
CID 91080290
tert-butyl 9-(4-hydroxyphenyl)-3,9-diazaspiro[5.5]undecane-3-carboxylate
CID 170979647
tert-butyl 2-(4-chloro-2-fluorophenyl)-2,7-diazaspiro[3.4]octane-7-carboxylate
CID 164573214
tert-butyl N-[(5S)-3-[2-(trifluoromethyl)-4-pyridinyl]-3-azabicyclo[3.2.1]octan-8-yl]carbamate
CID 129233094
tert-butyl N-[3-[2-(trifluoromethyl)-4-pyridinyl]-3-azabicyclo[3.2.1]octan-8-yl]carbamate
CID 129216529

Frequently Asked Questions

What is the IUPAC name of CID 160639767?
The IUPAC name of CID 160639767 (CID 160639767) is not available.
What is the SMILES notation for CID 160639767?
The canonical SMILES for CID 160639767 is CC(C)(C)OC(=O)N1CCC2(CCN(c3ccnc(C(F)(F)F)c3)CC2)C1.[Na].
What is the InChIKey of CID 160639767?
The InChIKey is RJADSDGFONHBCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26F3N3O2.Na/c1-17(2,3)27-16(26)25-11-7-18(13-25)5-9-24(10-6-18)14-4-8-23-15(12-14)19(20,21)22;/h4,8,12H,5-7,9-11,13H2,1-3H3;.
What are the key properties of CID 160639767?
CID 160639767 has a molecular weight of 408.42 g/mol, XLogP of 3.95, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 160639767 is sourced from PubChem (CID 160639767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).