(Z)-1-[5-fluoro-3-[4-(2-methyl-2-azaspiro[3.4]octan-6-yl)piperazin-1-yl]-2-pyridinyl]-3-methyliminoprop-1-en-1-amine

C21H31FN6 — CID 171092729

IUPAC(Z)-1-[5-fluoro-3-[4-(2-methyl-2-azaspiro[3.4]octan-6-yl)piperazin-1-yl]-2-pyridinyl]-3-methyliminoprop-1-en-1-amine
SMILESC/N=C/C=C(\N)c1ncc(F)cc1N1CCN(C2CCC3(C2)CN(C)C3)CC1
InChIInChI=1S/C21H31FN6/c1-24-6-4-18(23)20-19(11-16(22)13-25-20)28-9-7-27(8-10-28)17-3-5-21(12-17)14-26(2)15-21/h4,6,11,13,17H,3,5,7-10,12,14-15,23H2,1-2H3/b18-4-,24-6+
InChIKeyJZPFMZYCQPYYSG-SFLMWAORSA-N
MW386.52 g/mol
LogP1.83
Rot. Bonds4

About (Z)-1-[5-fluoro-3-[4-(2-methyl-2-azaspiro[3.4]octan-6-yl)piperazin-1-yl]-2-pyridinyl]-3-methyliminoprop-1-en-1-amine

(Z)-1-[5-fluoro-3-[4-(2-methyl-2-azaspiro[3.4]octan-6-yl)piperazin-1-yl]-2-pyridinyl]-3-methyliminoprop-1-en-1-amine (PubChem CID 171092729) has the molecular formula C21H31FN6 and a molecular weight of 386.52 g/mol. Its IUPAC name is (Z)-1-[5-fluoro-3-[4-(2-methyl-2-azaspiro[3.4]octan-6-yl)piperazin-1-yl]-2-pyridinyl]-3-methyliminoprop-1-en-1-amine.

Molecular Properties

Compound Name(Z)-1-[5-fluoro-3-[4-(2-methyl-2-azaspiro[3.4]octan-6-yl)piperazin-1-yl]-2-pyridinyl]-3-methyliminoprop-1-en-1-amine
PubChem CID171092729
Molecular FormulaC21H31FN6
Molecular Weight386.52 g/mol
Exact Mass386.26
IUPAC Name(Z)-1-[5-fluoro-3-[4-(2-methyl-2-azaspiro[3.4]octan-6-yl)piperazin-1-yl]-2-pyridinyl]-3-methyliminoprop-1-en-1-amine
SMILESC/N=C/C=C(\N)c1ncc(F)cc1N1CCN(C2CCC3(C2)CN(C)C3)CC1
InChIInChI=1S/C21H31FN6/c1-24-6-4-18(23)20-19(11-16(22)13-25-20)28-9-7-27(8-10-28)17-3-5-21(12-17)14-26(2)15-21/h4,6,11,13,17H,3,5,7-10,12,14-15,23H2,1-2H3/b18-4-,24-6+
InChIKeyJZPFMZYCQPYYSG-SFLMWAORSA-N
XLogP1.83
TPSA60.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze (Z)-1-[5-fluoro-3-[4-(2-methyl-2-azaspiro[3.4]octan-6-yl)piperazin-1-yl]-2-pyridinyl]-3-methyliminoprop-1-en-1-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-[5-fluoro-3-[4-(2-methyl-2-azaspiro[3.4]octan-6-yl)piperazin-1-yl]-2-pyridinyl]-3-methyliminoprop-1-en-1-amine?
The IUPAC name of (Z)-1-[5-fluoro-3-[4-(2-methyl-2-azaspiro[3.4]octan-6-yl)piperazin-1-yl]-2-pyridinyl]-3-methyliminoprop-1-en-1-amine (CID 171092729) is (Z)-1-[5-fluoro-3-[4-(2-methyl-2-azaspiro[3.4]octan-6-yl)piperazin-1-yl]-2-pyridinyl]-3-methyliminoprop-1-en-1-amine.
What is the SMILES notation for (Z)-1-[5-fluoro-3-[4-(2-methyl-2-azaspiro[3.4]octan-6-yl)piperazin-1-yl]-2-pyridinyl]-3-methyliminoprop-1-en-1-amine?
The canonical SMILES for (Z)-1-[5-fluoro-3-[4-(2-methyl-2-azaspiro[3.4]octan-6-yl)piperazin-1-yl]-2-pyridinyl]-3-methyliminoprop-1-en-1-amine is C/N=C/C=C(\N)c1ncc(F)cc1N1CCN(C2CCC3(C2)CN(C)C3)CC1.
What is the InChIKey of (Z)-1-[5-fluoro-3-[4-(2-methyl-2-azaspiro[3.4]octan-6-yl)piperazin-1-yl]-2-pyridinyl]-3-methyliminoprop-1-en-1-amine?
The InChIKey is JZPFMZYCQPYYSG-SFLMWAORSA-N. The full InChI is InChI=1S/C21H31FN6/c1-24-6-4-18(23)20-19(11-16(22)13-25-20)28-9-7-27(8-10-28)17-3-5-21(12-17)14-26(2)15-21/h4,6,11,13,17H,3,5,7-10,12,14-15,23H2,1-2H3/b18-4-,24-6+.
What are the key properties of (Z)-1-[5-fluoro-3-[4-(2-methyl-2-azaspiro[3.4]octan-6-yl)piperazin-1-yl]-2-pyridinyl]-3-methyliminoprop-1-en-1-amine?
(Z)-1-[5-fluoro-3-[4-(2-methyl-2-azaspiro[3.4]octan-6-yl)piperazin-1-yl]-2-pyridinyl]-3-methyliminoprop-1-en-1-amine has a molecular weight of 386.52 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-[5-fluoro-3-[4-(2-methyl-2-azaspiro[3.4]octan-6-yl)piperazin-1-yl]-2-pyridinyl]-3-methyliminoprop-1-en-1-amine is sourced from PubChem (CID 171092729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).