(E)-3-(1H-imidazol-5-yl)-1-[3-[2-[(6-methyl-2-pyridinyl)amino]-4-pyridinyl]piperidin-1-yl]prop-2-en-1-one

C22H24N6O — CID 132765793

IUPAC(E)-3-(1H-imidazol-5-yl)-1-[3-[2-[(6-methyl-2-pyridinyl)amino]-4-pyridinyl]piperidin-1-yl]prop-2-en-1-one
SMILESCc1cccc(Nc2cc(C3CCCN(C(=O)/C=C/c4cnc[nH]4)C3)ccn2)n1
InChIInChI=1S/C22H24N6O/c1-16-4-2-6-20(26-16)27-21-12-17(9-10-24-21)18-5-3-11-28(14-18)22(29)8-7-19-13-23-15-25-19/h2,4,6-10,12-13,15,18H,3,5,11,14H2,1H3,(H,23,25)(H,24,26,27)/b8-7+
InChIKeyNTUTUMKTMMJIKU-BQYQJAHWSA-N
MW388.48 g/mol
LogP3.67
Rot. Bonds5

About (E)-3-(1H-imidazol-5-yl)-1-[3-[2-[(6-methyl-2-pyridinyl)amino]-4-pyridinyl]piperidin-1-yl]prop-2-en-1-one

(E)-3-(1H-imidazol-5-yl)-1-[3-[2-[(6-methyl-2-pyridinyl)amino]-4-pyridinyl]piperidin-1-yl]prop-2-en-1-one (PubChem CID 132765793) has the molecular formula C22H24N6O and a molecular weight of 388.48 g/mol. Its IUPAC name is (E)-3-(1H-imidazol-5-yl)-1-[3-[2-[(6-methyl-2-pyridinyl)amino]-4-pyridinyl]piperidin-1-yl]prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(1H-imidazol-5-yl)-1-[3-[2-[(6-methyl-2-pyridinyl)amino]-4-pyridinyl]piperidin-1-yl]prop-2-en-1-one
PubChem CID132765793
Molecular FormulaC22H24N6O
Molecular Weight388.48 g/mol
Exact Mass388.20
IUPAC Name(E)-3-(1H-imidazol-5-yl)-1-[3-[2-[(6-methyl-2-pyridinyl)amino]-4-pyridinyl]piperidin-1-yl]prop-2-en-1-one
SMILESCc1cccc(Nc2cc(C3CCCN(C(=O)/C=C/c4cnc[nH]4)C3)ccn2)n1
InChIInChI=1S/C22H24N6O/c1-16-4-2-6-20(26-16)27-21-12-17(9-10-24-21)18-5-3-11-28(14-18)22(29)8-7-19-13-23-15-25-19/h2,4,6-10,12-13,15,18H,3,5,11,14H2,1H3,(H,23,25)(H,24,26,27)/b8-7+
InChIKeyNTUTUMKTMMJIKU-BQYQJAHWSA-N
XLogP3.67
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.48
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-3-(1H-imidazol-5-yl)-1-[3-[2-[(6-methyl-2-pyridinyl)amino]-4-pyridinyl]piperidin-1-yl]prop-2-en-1-one 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

(E)-4-(dimethylamino)-1-[3-[2-[(6-methyl-2-pyridinyl)amino]-4-pyridinyl]piperidin-1-yl]but-2-en-1-one
CID 132765628
1-[4-[2-[(6-methyl-2-pyridinyl)amino]-4-pyridinyl]piperidin-1-yl]-3-pyridin-3-ylprop-2-en-1-one
CID 171147530
[3-[2-[(6-methyl-2-pyridinyl)amino]-4-pyridinyl]piperidin-1-yl]-pyridazin-3-ylmethanone
CID 110111803
1H-imidazol-5-yl-[(3S)-3-[5-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]piperidin-1-yl]methanone
CID 124979263
(E)-1-[3-[2-methyl-6-[(6-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperidin-1-yl]-3-(2-methyl-1,3-thiazol-4-yl)prop-2-en-1-one
CID 132766887
1-[3-[6-[(4,6-dimethylpyrimidin-2-yl)amino]-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]-3-(1H-imidazol-5-yl)prop-2-en-1-one
CID 171147390
(E)-3-(1H-imidazol-5-yl)-1-[3-[2-methyl-6-[(4-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]prop-2-en-1-one
CID 132765965
2-methoxy-2-methyl-1-[3-[2-(pyridin-2-ylamino)-4-pyridinyl]piperidin-1-yl]propan-1-one
CID 110111589
(5-methyl-1,2-oxazol-3-yl)-[(3R)-3-[2-(pyridin-2-ylamino)-4-pyridinyl]piperidin-1-yl]methanone
CID 125013777
[(3R)-3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 125007244
N-methyl-2-[(3S)-3-[2-(pyridin-2-ylamino)-4-pyridinyl]piperidin-1-yl]acetamide
CID 124991618
(E)-3-(1H-imidazol-5-yl)-1-[2-[2-methyl-6-[(3-methyl-2-pyridinyl)amino]pyrimidin-4-yl]azetidin-1-yl]prop-2-en-1-one
CID 132765526

Frequently Asked Questions

What is the IUPAC name of (E)-3-(1H-imidazol-5-yl)-1-[3-[2-[(6-methyl-2-pyridinyl)amino]-4-pyridinyl]piperidin-1-yl]prop-2-en-1-one?
The IUPAC name of (E)-3-(1H-imidazol-5-yl)-1-[3-[2-[(6-methyl-2-pyridinyl)amino]-4-pyridinyl]piperidin-1-yl]prop-2-en-1-one (CID 132765793) is (E)-3-(1H-imidazol-5-yl)-1-[3-[2-[(6-methyl-2-pyridinyl)amino]-4-pyridinyl]piperidin-1-yl]prop-2-en-1-one.
What is the SMILES notation for (E)-3-(1H-imidazol-5-yl)-1-[3-[2-[(6-methyl-2-pyridinyl)amino]-4-pyridinyl]piperidin-1-yl]prop-2-en-1-one?
The canonical SMILES for (E)-3-(1H-imidazol-5-yl)-1-[3-[2-[(6-methyl-2-pyridinyl)amino]-4-pyridinyl]piperidin-1-yl]prop-2-en-1-one is Cc1cccc(Nc2cc(C3CCCN(C(=O)/C=C/c4cnc[nH]4)C3)ccn2)n1.
What is the InChIKey of (E)-3-(1H-imidazol-5-yl)-1-[3-[2-[(6-methyl-2-pyridinyl)amino]-4-pyridinyl]piperidin-1-yl]prop-2-en-1-one?
The InChIKey is NTUTUMKTMMJIKU-BQYQJAHWSA-N. The full InChI is InChI=1S/C22H24N6O/c1-16-4-2-6-20(26-16)27-21-12-17(9-10-24-21)18-5-3-11-28(14-18)22(29)8-7-19-13-23-15-25-19/h2,4,6-10,12-13,15,18H,3,5,11,14H2,1H3,(H,23,25)(H,24,26,27)/b8-7+.
What are the key properties of (E)-3-(1H-imidazol-5-yl)-1-[3-[2-[(6-methyl-2-pyridinyl)amino]-4-pyridinyl]piperidin-1-yl]prop-2-en-1-one?
(E)-3-(1H-imidazol-5-yl)-1-[3-[2-[(6-methyl-2-pyridinyl)amino]-4-pyridinyl]piperidin-1-yl]prop-2-en-1-one has a molecular weight of 388.48 g/mol, XLogP of 3.67, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(1H-imidazol-5-yl)-1-[3-[2-[(6-methyl-2-pyridinyl)amino]-4-pyridinyl]piperidin-1-yl]prop-2-en-1-one is sourced from PubChem (CID 132765793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).