(1Z,3E)-3-[(1Z)-3-(4-fluorophenyl)-1-hydrazinyl-1-(4-pyrrolidin-1-ylpiperidin-1-yl)buta-1,3-dien-2-yl]hexa-1,3,5-trien-1-amine

C25H34FN5 — CID 89331606

IUPAC(1Z,3E)-3-[(1Z)-3-(4-fluorophenyl)-1-hydrazinyl-1-(4-pyrrolidin-1-ylpiperidin-1-yl)buta-1,3-dien-2-yl]hexa-1,3,5-trien-1-amine
SMILESC=C/C=C(\C=C/N)C(/C(=C)c1ccc(F)cc1)=C(/NN)N1CCC(N2CCCC2)CC1
InChIInChI=1S/C25H34FN5/c1-3-6-21(11-14-27)24(19(2)20-7-9-22(26)10-8-20)25(29-28)31-17-12-23(13-18-31)30-15-4-5-16-30/h3,6-11,14,23,29H,1-2,4-5,12-13,15-18,27-28H2/b14-11-,21-6+,25-24-
InChIKeyGKUDAUMXOSPIJP-USOADHCXSA-N
MW423.58 g/mol
LogP3.66
Rot. Bonds8

About (1Z,3E)-3-[(1Z)-3-(4-fluorophenyl)-1-hydrazinyl-1-(4-pyrrolidin-1-ylpiperidin-1-yl)buta-1,3-dien-2-yl]hexa-1,3,5-trien-1-amine

(1Z,3E)-3-[(1Z)-3-(4-fluorophenyl)-1-hydrazinyl-1-(4-pyrrolidin-1-ylpiperidin-1-yl)buta-1,3-dien-2-yl]hexa-1,3,5-trien-1-amine (PubChem CID 89331606) has the molecular formula C25H34FN5 and a molecular weight of 423.58 g/mol. Its IUPAC name is (1Z,3E)-3-[(1Z)-3-(4-fluorophenyl)-1-hydrazinyl-1-(4-pyrrolidin-1-ylpiperidin-1-yl)buta-1,3-dien-2-yl]hexa-1,3,5-trien-1-amine.

Molecular Properties

Compound Name(1Z,3E)-3-[(1Z)-3-(4-fluorophenyl)-1-hydrazinyl-1-(4-pyrrolidin-1-ylpiperidin-1-yl)buta-1,3-dien-2-yl]hexa-1,3,5-trien-1-amine
PubChem CID89331606
Molecular FormulaC25H34FN5
Molecular Weight423.58 g/mol
Exact Mass423.28
IUPAC Name(1Z,3E)-3-[(1Z)-3-(4-fluorophenyl)-1-hydrazinyl-1-(4-pyrrolidin-1-ylpiperidin-1-yl)buta-1,3-dien-2-yl]hexa-1,3,5-trien-1-amine
SMILESC=C/C=C(\C=C/N)C(/C(=C)c1ccc(F)cc1)=C(/NN)N1CCC(N2CCCC2)CC1
InChIInChI=1S/C25H34FN5/c1-3-6-21(11-14-27)24(19(2)20-7-9-22(26)10-8-20)25(29-28)31-17-12-23(13-18-31)30-15-4-5-16-30/h3,6-11,14,23,29H,1-2,4-5,12-13,15-18,27-28H2/b14-11-,21-6+,25-24-
InChIKeyGKUDAUMXOSPIJP-USOADHCXSA-N
XLogP3.66
TPSA70.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.58
LogP ≤ 53.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1Z,3E)-3-[(1Z)-3-(4-fluorophenyl)-1-hydrazinyl-1-(4-pyrrolidin-1-ylpiperidin-1-yl)buta-1,3-dien-2-yl]hexa-1,3,5-trien-1-amine?
The IUPAC name of (1Z,3E)-3-[(1Z)-3-(4-fluorophenyl)-1-hydrazinyl-1-(4-pyrrolidin-1-ylpiperidin-1-yl)buta-1,3-dien-2-yl]hexa-1,3,5-trien-1-amine (CID 89331606) is (1Z,3E)-3-[(1Z)-3-(4-fluorophenyl)-1-hydrazinyl-1-(4-pyrrolidin-1-ylpiperidin-1-yl)buta-1,3-dien-2-yl]hexa-1,3,5-trien-1-amine.
What is the SMILES notation for (1Z,3E)-3-[(1Z)-3-(4-fluorophenyl)-1-hydrazinyl-1-(4-pyrrolidin-1-ylpiperidin-1-yl)buta-1,3-dien-2-yl]hexa-1,3,5-trien-1-amine?
The canonical SMILES for (1Z,3E)-3-[(1Z)-3-(4-fluorophenyl)-1-hydrazinyl-1-(4-pyrrolidin-1-ylpiperidin-1-yl)buta-1,3-dien-2-yl]hexa-1,3,5-trien-1-amine is C=C/C=C(\C=C/N)C(/C(=C)c1ccc(F)cc1)=C(/NN)N1CCC(N2CCCC2)CC1.
What is the InChIKey of (1Z,3E)-3-[(1Z)-3-(4-fluorophenyl)-1-hydrazinyl-1-(4-pyrrolidin-1-ylpiperidin-1-yl)buta-1,3-dien-2-yl]hexa-1,3,5-trien-1-amine?
The InChIKey is GKUDAUMXOSPIJP-USOADHCXSA-N. The full InChI is InChI=1S/C25H34FN5/c1-3-6-21(11-14-27)24(19(2)20-7-9-22(26)10-8-20)25(29-28)31-17-12-23(13-18-31)30-15-4-5-16-30/h3,6-11,14,23,29H,1-2,4-5,12-13,15-18,27-28H2/b14-11-,21-6+,25-24-.
What are the key properties of (1Z,3E)-3-[(1Z)-3-(4-fluorophenyl)-1-hydrazinyl-1-(4-pyrrolidin-1-ylpiperidin-1-yl)buta-1,3-dien-2-yl]hexa-1,3,5-trien-1-amine?
(1Z,3E)-3-[(1Z)-3-(4-fluorophenyl)-1-hydrazinyl-1-(4-pyrrolidin-1-ylpiperidin-1-yl)buta-1,3-dien-2-yl]hexa-1,3,5-trien-1-amine has a molecular weight of 423.58 g/mol, XLogP of 3.66, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3E)-3-[(1Z)-3-(4-fluorophenyl)-1-hydrazinyl-1-(4-pyrrolidin-1-ylpiperidin-1-yl)buta-1,3-dien-2-yl]hexa-1,3,5-trien-1-amine is sourced from PubChem (CID 89331606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).