(Z,4Z)-4-[[[(Z)-3-amino-2-[amino(methyl)amino]-3-[6-(difluoromethyl)-5-piperidin-1-yl-2-pyridinyl]prop-2-enyl]-methylamino]methylidene]hept-2-enal

C24H36F2N6O — CID 162730100

IUPAC(Z,4Z)-4-[[[(Z)-3-amino-2-[amino(methyl)amino]-3-[6-(difluoromethyl)-5-piperidin-1-yl-2-pyridinyl]prop-2-enyl]-methylamino]methylidene]hept-2-enal
SMILESCCCC(/C=C\C=O)=C/N(C)C/C(=C(/N)c1ccc(N2CCCCC2)c(C(F)F)n1)N(C)N
InChIInChI=1S/C24H36F2N6O/c1-4-9-18(10-8-15-33)16-30(2)17-21(31(3)28)22(27)19-11-12-20(23(29-19)24(25)26)32-13-6-5-7-14-32/h8,10-12,15-16,24H,4-7,9,13-14,17,27-28H2,1-3H3/b10-8-,18-16-,22-21-
InChIKeyPTJZCLAFHXYOSJ-CYFFLENZSA-N
MW462.59 g/mol
LogP3.81
Rot. Bonds11

About (Z,4Z)-4-[[[(Z)-3-amino-2-[amino(methyl)amino]-3-[6-(difluoromethyl)-5-piperidin-1-yl-2-pyridinyl]prop-2-enyl]-methylamino]methylidene]hept-2-enal

(Z,4Z)-4-[[[(Z)-3-amino-2-[amino(methyl)amino]-3-[6-(difluoromethyl)-5-piperidin-1-yl-2-pyridinyl]prop-2-enyl]-methylamino]methylidene]hept-2-enal (PubChem CID 162730100) has the molecular formula C24H36F2N6O and a molecular weight of 462.59 g/mol. Its IUPAC name is (Z,4Z)-4-[[[(Z)-3-amino-2-[amino(methyl)amino]-3-[6-(difluoromethyl)-5-piperidin-1-yl-2-pyridinyl]prop-2-enyl]-methylamino]methylidene]hept-2-enal.

Molecular Properties

Compound Name(Z,4Z)-4-[[[(Z)-3-amino-2-[amino(methyl)amino]-3-[6-(difluoromethyl)-5-piperidin-1-yl-2-pyridinyl]prop-2-enyl]-methylamino]methylidene]hept-2-enal
PubChem CID162730100
Molecular FormulaC24H36F2N6O
Molecular Weight462.59 g/mol
Exact Mass462.29
IUPAC Name(Z,4Z)-4-[[[(Z)-3-amino-2-[amino(methyl)amino]-3-[6-(difluoromethyl)-5-piperidin-1-yl-2-pyridinyl]prop-2-enyl]-methylamino]methylidene]hept-2-enal
SMILESCCCC(/C=C\C=O)=C/N(C)C/C(=C(/N)c1ccc(N2CCCCC2)c(C(F)F)n1)N(C)N
InChIInChI=1S/C24H36F2N6O/c1-4-9-18(10-8-15-33)16-30(2)17-21(31(3)28)22(27)19-11-12-20(23(29-19)24(25)26)32-13-6-5-7-14-32/h8,10-12,15-16,24H,4-7,9,13-14,17,27-28H2,1-3H3/b10-8-,18-16-,22-21-
InChIKeyPTJZCLAFHXYOSJ-CYFFLENZSA-N
XLogP3.81
TPSA91.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.59
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (Z,4Z)-4-[[[(Z)-3-amino-2-[amino(methyl)amino]-3-[6-(difluoromethyl)-5-piperidin-1-yl-2-pyridinyl]prop-2-enyl]-methylamino]methylidene]hept-2-enal with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(Z)-3-[amino-[(Z)-2-amino-3-cyclopropylprop-1-enyl]amino]-2-[amino(methyl)amino]-1-[6-(difluoromethyl)-5-piperidin-1-yl-2-pyridinyl]prop-1-en-1-amine;ethane;formic acid
CID 162729868
(Z)-3-amino-2-[amino(methyl)amino]-3-[5-piperidin-1-yl-6-(trifluoromethyl)-2-pyridinyl]prop-2-en-1-ol
CID 162729808
N-[(Z)-2-[[(Z)-3-amino-2-[amino(methyl)amino]-3-[5-(3,3-difluoropiperidin-1-yl)-6-methyl-2-pyridinyl]prop-2-enyl]-methylamino]ethenyl]-N-(2-methylpropyl)formamide;ethane;methyl acetate
CID 162729898
(Z)-4-[6-[amino(ethenyl)amino]pyrimidin-4-yl]-2-[amino(methyl)amino]-1-(6-ethyl-5-piperidin-1-yl-2-pyridinyl)but-1-en-1-amine;ethanamine;ethane;ethenol
CID 162730008
[(Z)-3-amino-2-[amino(methyl)amino]-3-(5-cyclohexyloxy-6-methyl-2-pyridinyl)prop-2-enyl] N-methyl-N-pentan-2-ylcarbamate
CID 154936261
1-[(Z)-3-amino-2-[amino(methyl)amino]-3-[5-(3,3-difluoropiperidin-1-yl)-6-ethyl-2-pyridinyl]prop-2-enyl]-5-propan-2-ylpyridin-2-one
CID 162729949
1-[(Z)-3-amino-2-[amino(methyl)amino]-3-[5-(3,3-difluoropiperidin-1-yl)-6-ethyl-2-pyridinyl]prop-2-enyl]-4-propylpyridin-2-one
CID 162730179
(Z)-3-[amino-[(Z)-2-amino-3-phenylprop-1-enyl]amino]-2-[amino(methyl)amino]-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)prop-1-en-1-amine
CID 167298322
ethyl 2-[(3R)-1-[2-(difluoromethyl)-6-[5-(hydroxymethyl)-1-methyltriazol-4-yl]-3-pyridinyl]piperidin-3-yl]acetate
CID 169096113
(Z)-2-[amino(methyl)amino]-1-[5-(cyclohexylmethyl)-6-methyl-2-pyridinyl]-4-methyl-6-phenylhex-1-en-1-amine
CID 166804251
butanamide;1-phenylpiperidine
CID 174698826
1-[(Z)-3-amino-2-[amino(methyl)amino]-3-[6-ethyl-5-(3-fluoro-3-methylpiperidin-1-yl)-2-pyridinyl]prop-2-enyl]-5-ethoxypyridin-2-one
CID 162730182

Frequently Asked Questions

What is the IUPAC name of (Z,4Z)-4-[[[(Z)-3-amino-2-[amino(methyl)amino]-3-[6-(difluoromethyl)-5-piperidin-1-yl-2-pyridinyl]prop-2-enyl]-methylamino]methylidene]hept-2-enal?
The IUPAC name of (Z,4Z)-4-[[[(Z)-3-amino-2-[amino(methyl)amino]-3-[6-(difluoromethyl)-5-piperidin-1-yl-2-pyridinyl]prop-2-enyl]-methylamino]methylidene]hept-2-enal (CID 162730100) is (Z,4Z)-4-[[[(Z)-3-amino-2-[amino(methyl)amino]-3-[6-(difluoromethyl)-5-piperidin-1-yl-2-pyridinyl]prop-2-enyl]-methylamino]methylidene]hept-2-enal.
What is the SMILES notation for (Z,4Z)-4-[[[(Z)-3-amino-2-[amino(methyl)amino]-3-[6-(difluoromethyl)-5-piperidin-1-yl-2-pyridinyl]prop-2-enyl]-methylamino]methylidene]hept-2-enal?
The canonical SMILES for (Z,4Z)-4-[[[(Z)-3-amino-2-[amino(methyl)amino]-3-[6-(difluoromethyl)-5-piperidin-1-yl-2-pyridinyl]prop-2-enyl]-methylamino]methylidene]hept-2-enal is CCCC(/C=C\C=O)=C/N(C)C/C(=C(/N)c1ccc(N2CCCCC2)c(C(F)F)n1)N(C)N.
What is the InChIKey of (Z,4Z)-4-[[[(Z)-3-amino-2-[amino(methyl)amino]-3-[6-(difluoromethyl)-5-piperidin-1-yl-2-pyridinyl]prop-2-enyl]-methylamino]methylidene]hept-2-enal?
The InChIKey is PTJZCLAFHXYOSJ-CYFFLENZSA-N. The full InChI is InChI=1S/C24H36F2N6O/c1-4-9-18(10-8-15-33)16-30(2)17-21(31(3)28)22(27)19-11-12-20(23(29-19)24(25)26)32-13-6-5-7-14-32/h8,10-12,15-16,24H,4-7,9,13-14,17,27-28H2,1-3H3/b10-8-,18-16-,22-21-.
What are the key properties of (Z,4Z)-4-[[[(Z)-3-amino-2-[amino(methyl)amino]-3-[6-(difluoromethyl)-5-piperidin-1-yl-2-pyridinyl]prop-2-enyl]-methylamino]methylidene]hept-2-enal?
(Z,4Z)-4-[[[(Z)-3-amino-2-[amino(methyl)amino]-3-[6-(difluoromethyl)-5-piperidin-1-yl-2-pyridinyl]prop-2-enyl]-methylamino]methylidene]hept-2-enal has a molecular weight of 462.59 g/mol, XLogP of 3.81, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,4Z)-4-[[[(Z)-3-amino-2-[amino(methyl)amino]-3-[6-(difluoromethyl)-5-piperidin-1-yl-2-pyridinyl]prop-2-enyl]-methylamino]methylidene]hept-2-enal is sourced from PubChem (CID 162730100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).