sodium;7-[6-(cyclopentylamino)-3-pyridinyl]imidazo[1,2-a]pyrazin-8-one;5-(trifluoromethyl)-2H-pyrimidin-2-ide

C21H19F3N7NaO — CID 177336069

IUPACsodium;7-[6-(cyclopentylamino)-3-pyridinyl]imidazo[1,2-a]pyrazin-8-one;5-(trifluoromethyl)-2H-pyrimidin-2-ide
SMILESFC(F)(F)c1cn[c-]nc1.O=c1c2nccn2ccn1-c1ccc(NC2CCCC2)nc1.[Na+]
InChIInChI=1S/C16H17N5O.C5H2F3N2.Na/c22-16-15-17-7-8-20(15)9-10-21(16)13-5-6-14(18-11-13)19-12-3-1-2-4-12;6-5(7,8)4-1-9-3-10-2-4;/h5-12H,1-4H2,(H,18,19);1-2H;/q;-1;+1
InChIKeyAQJIRSXXEZSJCJ-UHFFFAOYSA-N
MW465.42 g/mol
LogP0.53
Rot. Bonds3

About sodium;7-[6-(cyclopentylamino)-3-pyridinyl]imidazo[1,2-a]pyrazin-8-one;5-(trifluoromethyl)-2H-pyrimidin-2-ide

sodium;7-[6-(cyclopentylamino)-3-pyridinyl]imidazo[1,2-a]pyrazin-8-one;5-(trifluoromethyl)-2H-pyrimidin-2-ide (PubChem CID 177336069) has the molecular formula C21H19F3N7NaO and a molecular weight of 465.42 g/mol. Its IUPAC name is sodium;7-[6-(cyclopentylamino)-3-pyridinyl]imidazo[1,2-a]pyrazin-8-one;5-(trifluoromethyl)-2H-pyrimidin-2-ide.

Molecular Properties

Compound Namesodium;7-[6-(cyclopentylamino)-3-pyridinyl]imidazo[1,2-a]pyrazin-8-one;5-(trifluoromethyl)-2H-pyrimidin-2-ide
PubChem CID177336069
Molecular FormulaC21H19F3N7NaO
Molecular Weight465.42 g/mol
Exact Mass465.15
IUPAC Namesodium;7-[6-(cyclopentylamino)-3-pyridinyl]imidazo[1,2-a]pyrazin-8-one;5-(trifluoromethyl)-2H-pyrimidin-2-ide
SMILESFC(F)(F)c1cn[c-]nc1.O=c1c2nccn2ccn1-c1ccc(NC2CCCC2)nc1.[Na+]
InChIInChI=1S/C16H17N5O.C5H2F3N2.Na/c22-16-15-17-7-8-20(15)9-10-21(16)13-5-6-14(18-11-13)19-12-3-1-2-4-12;6-5(7,8)4-1-9-3-10-2-4;/h5-12H,1-4H2,(H,18,19);1-2H;/q;-1;+1
InChIKeyAQJIRSXXEZSJCJ-UHFFFAOYSA-N
XLogP0.53
TPSA90.00 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.42
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

6-[6-(cyclopentylamino)-3-pyridinyl]-1H-pyrazolo[5,4-c]pyridin-7-one
CID 178169274
1-[6-(cyclopentylamino)-3-pyridinyl]-3-(trifluoromethyl)pyridin-2-one;5-methylpyrazin-2-amine;molecular hydrogen
CID 171100619
sodium;1-[6-(cyclopentylamino)-3-pyridinyl]-3-methoxypyridin-2-one;5-(difluoromethoxy)-2H-pyrazin-2-ide
CID 171100958
potassium 7-(3-fluoro-2H-pyridin-2-id-5-yl)imidazo[1,2-a]pyrazin-8-one
CID 177336053
1-[6-(cyclopentylamino)-3-pyridinyl]-3-[2-(oxan-2-yl)triazol-4-yl]pyridin-2-one
CID 171100526
1-[6-[[(1S,3S)-3-[(5-methylpyrazin-2-yl)amino]cyclopentyl]amino]-3-pyridinyl]-3-(trifluoromethoxy)pyridin-2-one
CID 171100945
N-piperidin-4-yl-5-(trifluoromethyl)pyridin-2-amine;trihydrochloride
CID 86276661
sodium;5-chloro-2H-pyrimidin-2-ide;N-cyclopentyl-5-methylpyridin-2-amine;ethane
CID 177336089
6-chloro-N-cyclopentyl-4-(trifluoromethyl)pyridin-2-amine
CID 102715432
1-[6-(methylamino)-3-pyridinyl]-3-(trifluoromethyl)pyridin-2-one
CID 138648730
1-[6-[[(1S,3S)-3-aminocyclopentyl]amino]-3-pyridinyl]-2-oxopyridine-3-carbonitrile
CID 171100601
N-(3,4-dimethylcyclohexyl)-5-(trifluoromethyl)pyridin-2-amine
CID 64742884

Frequently Asked Questions

What is the IUPAC name of sodium;7-[6-(cyclopentylamino)-3-pyridinyl]imidazo[1,2-a]pyrazin-8-one;5-(trifluoromethyl)-2H-pyrimidin-2-ide?
The IUPAC name of sodium;7-[6-(cyclopentylamino)-3-pyridinyl]imidazo[1,2-a]pyrazin-8-one;5-(trifluoromethyl)-2H-pyrimidin-2-ide (CID 177336069) is sodium;7-[6-(cyclopentylamino)-3-pyridinyl]imidazo[1,2-a]pyrazin-8-one;5-(trifluoromethyl)-2H-pyrimidin-2-ide.
What is the SMILES notation for sodium;7-[6-(cyclopentylamino)-3-pyridinyl]imidazo[1,2-a]pyrazin-8-one;5-(trifluoromethyl)-2H-pyrimidin-2-ide?
The canonical SMILES for sodium;7-[6-(cyclopentylamino)-3-pyridinyl]imidazo[1,2-a]pyrazin-8-one;5-(trifluoromethyl)-2H-pyrimidin-2-ide is FC(F)(F)c1cn[c-]nc1.O=c1c2nccn2ccn1-c1ccc(NC2CCCC2)nc1.[Na+].
What is the InChIKey of sodium;7-[6-(cyclopentylamino)-3-pyridinyl]imidazo[1,2-a]pyrazin-8-one;5-(trifluoromethyl)-2H-pyrimidin-2-ide?
The InChIKey is AQJIRSXXEZSJCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O.C5H2F3N2.Na/c22-16-15-17-7-8-20(15)9-10-21(16)13-5-6-14(18-11-13)19-12-3-1-2-4-12;6-5(7,8)4-1-9-3-10-2-4;/h5-12H,1-4H2,(H,18,19);1-2H;/q;-1;+1.
What are the key properties of sodium;7-[6-(cyclopentylamino)-3-pyridinyl]imidazo[1,2-a]pyrazin-8-one;5-(trifluoromethyl)-2H-pyrimidin-2-ide?
sodium;7-[6-(cyclopentylamino)-3-pyridinyl]imidazo[1,2-a]pyrazin-8-one;5-(trifluoromethyl)-2H-pyrimidin-2-ide has a molecular weight of 465.42 g/mol, XLogP of 0.53, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;7-[6-(cyclopentylamino)-3-pyridinyl]imidazo[1,2-a]pyrazin-8-one;5-(trifluoromethyl)-2H-pyrimidin-2-ide is sourced from PubChem (CID 177336069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).