(E)-2-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enamide;(E)-2-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoic acid

C34H25N9O3 — CID 158219493

IUPAC(E)-2-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enamide;(E)-2-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoic acid
SMILESCc1cccc(/C=C(/C(=O)O)c2ccc3ncc(C#N)n3c2)n1.Cc1cccc(/C=C(/C(N)=O)c2ccc3ncc(C#N)n3c2)n1
InChIInChI=1S/C17H13N5O.C17H12N4O2/c1-11-3-2-4-13(21-11)7-15(17(19)23)12-5-6-16-20-9-14(8-18)22(16)10-12;1-11-3-2-4-13(20-11)7-15(17(22)23)12-5-6-16-19-9-14(8-18)21(16)10-12/h2-7,9-10H,1H3,(H2,19,23);2-7,9-10H,1H3,(H,22,23)/b2*15-7+
InChIKeyGDBLPQHVYFVUOQ-QAMCWTPTSA-N
MW607.63 g/mol
LogP4.47
Rot. Bonds6

About (E)-2-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enamide;(E)-2-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoic acid

(E)-2-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enamide;(E)-2-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoic acid (PubChem CID 158219493) has the molecular formula C34H25N9O3 and a molecular weight of 607.63 g/mol. Its IUPAC name is (E)-2-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enamide;(E)-2-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoic acid.

Molecular Properties

Compound Name(E)-2-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enamide;(E)-2-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoic acid
PubChem CID158219493
Molecular FormulaC34H25N9O3
Molecular Weight607.63 g/mol
Exact Mass607.21
IUPAC Name(E)-2-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enamide;(E)-2-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoic acid
SMILESCc1cccc(/C=C(/C(=O)O)c2ccc3ncc(C#N)n3c2)n1.Cc1cccc(/C=C(/C(N)=O)c2ccc3ncc(C#N)n3c2)n1
InChIInChI=1S/C17H13N5O.C17H12N4O2/c1-11-3-2-4-13(21-11)7-15(17(19)23)12-5-6-16-20-9-14(8-18)22(16)10-12;1-11-3-2-4-13(20-11)7-15(17(22)23)12-5-6-16-19-9-14(8-18)21(16)10-12/h2-7,9-10H,1H3,(H2,19,23);2-7,9-10H,1H3,(H,22,23)/b2*15-7+
InChIKeyGDBLPQHVYFVUOQ-QAMCWTPTSA-N
XLogP4.47
TPSA188.35 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500607.63
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze (E)-2-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enamide;(E)-2-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoic acid with MolForge

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Related Compounds

(E)-2-(3-carbamoylimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoic acid
CID 155787570
6-[(E)-1-(6-methyl-2-pyridinyl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]imidazo[1,2-a]pyridine-3-carbonitrile
CID 155787568
6-[3-(3-Carbamoylimidazo[1,2-a]pyridin-6-yl)pyridin-2-yl]pyridine-3-carboxylic acid;6-[2-[6-(difluoromethyl)pyridin-2-yl]pyridin-3-yl]imidazo[1,2-a]pyridine-3-carbonitrile
CID 160621459
3-(2-Aminopyrimidin-4-yl)-2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridine-7-carboxylic acid
CID 10043227
4-[8-(4-Pyridin-2-ylpiperazin-1-yl)imidazo[1,2-a]pyrazin-6-yl]benzoic acid
CID 10294415
3-{2-[4-(Carboxy)-phenyl]-pyridin-4-yl}-2-(6-methyl-pyridin-2-yl)-imidazo[1,2-a]pyridine
CID 57438921
3-[4-[benzyl(methyl)amino]pyrimidin-2-yl]imidazo[1,2-a]pyridine-6-carbonitrile;3-[4-[[(1S)-1-phenylethyl]amino]pyrimidin-2-yl]imidazo[1,2-a]pyridine-6-carboxylic acid
CID 67257460
2-[1-[(6-Amino-5-cyanopyrimidin-4-yl)amino]ethyl]-3-pyridin-3-ylimidazo[1,2-a]pyridine-5-carboxylic acid
CID 67433328
3-[5-cyano-2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-8-methylimidazo[1,2-a]pyridine-7-carboxylic acid
CID 68686577
3-(2-Anilinopyrimidin-4-yl)-2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridine-7-carboxylic acid
CID 69383169
2-[3-(2-Aminopyrimidin-4-yl)-6-methyl-2-pyridinyl]imidazo[1,2-a]pyridine-7-carboxylic acid
CID 69558669
N-[1-(Pyridin-2-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]guanidine Hydrochloride 1-(Pyridin-2-yl)-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid
CID 86596025

Frequently Asked Questions

What is the IUPAC name of (E)-2-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enamide;(E)-2-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoic acid?
The IUPAC name of (E)-2-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enamide;(E)-2-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoic acid (CID 158219493) is (E)-2-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enamide;(E)-2-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoic acid.
What is the SMILES notation for (E)-2-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enamide;(E)-2-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoic acid?
The canonical SMILES for (E)-2-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enamide;(E)-2-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoic acid is Cc1cccc(/C=C(/C(=O)O)c2ccc3ncc(C#N)n3c2)n1.Cc1cccc(/C=C(/C(N)=O)c2ccc3ncc(C#N)n3c2)n1.
What is the InChIKey of (E)-2-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enamide;(E)-2-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoic acid?
The InChIKey is GDBLPQHVYFVUOQ-QAMCWTPTSA-N. The full InChI is InChI=1S/C17H13N5O.C17H12N4O2/c1-11-3-2-4-13(21-11)7-15(17(19)23)12-5-6-16-20-9-14(8-18)22(16)10-12;1-11-3-2-4-13(20-11)7-15(17(22)23)12-5-6-16-19-9-14(8-18)21(16)10-12/h2-7,9-10H,1H3,(H2,19,23);2-7,9-10H,1H3,(H,22,23)/b2*15-7+.
What are the key properties of (E)-2-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enamide;(E)-2-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoic acid?
(E)-2-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enamide;(E)-2-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoic acid has a molecular weight of 607.63 g/mol, XLogP of 4.47, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enamide;(E)-2-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoic acid is sourced from PubChem (CID 158219493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).